2
0
2019
pak
moh
0
journal
Original
Paknejad, A.[Ameneh]
Mohammadkhani, R.[Rokhsareh]
Zarei, H.[Hosseinali]
J. Chem. Eng. Data
2019
2020-09-29
Experimental High-Temperature, High-Pressure Density Measurement and Perturbed-Chain Statistical Associating Fluid Theory Modeling of Dimethyl Sulfoxide, Isoamyl Acetate, and Benzyl Alcohol
Experimental high-temperature, high-pressure (HTHP) density of three solvents including dimethyl sulfoxide, benzyl alcohol, and isoamyl acetate was measured at temperatures of 293.15 473.15 K and pressures up to 35 37.5 MPa. The density was measured with an Anton Paar density meter (DMA HP) at 20 K and 2.5 MPa intervals. The calibration fluids were water and benzene. The combined expanded uncertainty of density taking into account the device specification and the impurities of the materials was 1 kg*m 3 (0.95 level of confidence). The experimental density data were correlated with the Tait and new modified Tait equations. The thermal expansion coefficient (ap) and isothermal compressibility (T) were calculated with the new modified Tait equations. Moreover, the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state was used to model the density data at HTHP. In most cases, the PC-SAFT parameters are obtained from saturated vapor pressure and liquid phase density; however, these parameters were calculated from the density at HTHP in the present study. Regarding these parameters, thermodynamic properties such as the thermal expansion coefficient (ap), isothermal compressibility (T), isobaric heat capacity (CP), and speed of sound (u) were calculated. Acceptable agreement between the results with experimental data demonstrated the accuracy of modeling with the obtained parameters.
10.1021/acs.jced.9b00396
12
64
5174-5184
1
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
IAZDPXIOMUYVGZ-UHFFFAOYSA-N
dimethyl sulfoxide
DMSO
dimethyl sulphoxide
methyl sulfoxide
methylsulfinylmethane
sulfinylbismethane
C2H6OS
1
Commercial source
1
99.5
3
Stated by supplier
2
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
WVDDGKGOMKODPV-UHFFFAOYSA-N
benzenemethanol
(hydroxymethyl)benzene
.alpha.-hydroxytoluene
.alpha.-toluenol
benzenecarbinol
benzyl alcohol
phenylcarbinol
phenylmethanol
phenylmethyl alcohol
C7H8O
1
Commercial source
1
99
2
Stated by supplier
3
InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
MLFHJEHSLIIPHL-UHFFFAOYSA-N
3-methylbutyl ethanoate
3-methylbutyl acetate
acetic acid, 3-methylbutyl ester
acetic acid, isoamyl ester
isoamyl acetate
isopentyl acetate
isopentyl ethanoate
C7H14O2
1
Commercial source
1
99
2
Stated by supplier
1
1
1
Principal objective of the work
EP
EP
9/5/2019
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
293.15
5
1
1100.4
5
1
0.9
1
298.15
5
1
1095.4
5
1
0.9
1
313.15
5
1
1080.3
5
1
0.9
1
333.15
5
1
1060.2
5
1
0.9
2
1
1
Principal objective of the work
EP
EP
9/5/2019
1
Refractive index (Na D-line)
Standard Abbe refractometry
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
100
1
1
1.47713
6
1
0.00033
3
1
1
Principal objective of the work
EP
EP
9/5/2019
1
Speed of sound, m/s
Single path-length method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
100
1
2
Frequency, MHz
Liquid
3
1
1
Temperature, K
Liquid
1
293.15
5
1
1502
4
1
3
1
298.15
5
1
1485
4
1
3
1
313.15
5
1
1435
4
1
3
1
333.15
5
1
1368
4
1
3
4
1
1
Principal objective of the work
EP
EP
9/5/2019
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
293.15
5
2
500
1
1
1100
2
1
1
1
293.15
5
2
1000
1
1
1101
4
1
1
1
293.15
5
2
2500
2
1
1102
4
1
1
1
293.15
5
2
5000
1
1
1103
4
1
1
1
293.15
5
2
7500
2
1
1104
4
1
1
1
293.15
5
2
10000
1
1
1106
4
1
1
1
293.15
5
2
12500
3
1
1107
4
1
1
1
293.15
5
2
15000
2
1
1108
4
1
1
1
293.15
5
2
17500
3
1
1110
3
1
1
1
293.15
5
2
20000
1
1
1111
4
1
1
1
293.15
5
2
22500
3
1
1112
4
1
1
1
293.15
5
2
25000
2
1
1114
4
1
1
1
293.15
5
2
27500
3
1
1115
4
1
1
1
293.15
5
2
30000
1
1
1116
4
1
1
1
293.15
5
2
32500
3
1
1117
4
1
1
1
293.15
5
2
35000
2
1
1119
4
1
1
1
293.15
5
2
37500
3
1
1120
3
1
1
1
298.15
5
2
500
1
1
1095
4
1
1
1
298.15
5
2
1000
1
1
1096
4
1
1
1
298.15
5
2
2500
2
1
1096
4
1
1
1
298.15
5
2
5000
1
1
1098
4
1
1
1
298.15
5
2
7500
2
1
1099
4
1
1
1
298.15
5
2
10000
1
1
1101
4
1
1
1
298.15
5
2
12500
3
1
1102
4
1
1
1
298.15
5
2
15000
2
1
1103
4
1
1
1
298.15
5
2
17500
3
1
1105
4
1
1
1
298.15
5
2
20000
1
1
1106
4
1
1
1
298.15
5
2
22500
3
1
1107
4
1
1
1
298.15
5
2
25000
2
1
1109
4
1
1
1
298.15
5
2
27500
3
1
1110
3
1
1
1
298.15
5
2
30000
1
1
1111
4
1
1
1
298.15
5
2
32500
3
1
1113
4
1
1
1
298.15
5
2
35000
2
1
1114
4
1
1
1
298.15
5
2
37500
3
1
1115
4
1
1
1
313.15
5
2
500
1
1
1080
3
1
1
1
313.15
5
2
1000
1
1
1080
3
1
1
1
313.15
5
2
2500
2
1
1081
4
1
1
1
313.15
5
2
5000
1
1
1083
4
1
1
1
313.15
5
2
7500
2
1
1084
4
1
1
1
313.15
5
2
10000
1
1
1086
4
1
1
1
313.15
5
2
12500
3
1
1087
4
1
1
1
313.15
5
2
15000
2
1
1089
4
1
1
1
313.15
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2
17500
3
1
1090
3
1
1
1
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2
20000
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1
1092
4
1
1
1
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2
22500
3
1
1093
4
1
1
1
313.15
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2
25000
2
1
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4
1
1
1
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27500
3
1
1096
4
1
1
1
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4
1
1
1
313.15
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2
32500
3
1
1099
4
1
1
1
313.15
5
2
35000
2
1
1100
2
1
1
1
313.15
5
2
37500
3
1
1101
4
1
1
1
333.15
5
2
500
1
1
1060
3
1
1
1
333.15
5
2
1000
1
1
1060
3
1
1
1
333.15
5
2
2500
2
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4
1
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1
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2
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1
1
1063
4
1
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1
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2
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4
1
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1
333.15
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2
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1
333.15
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2
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1
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3
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1080
3
1
1
1
333.15
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2
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2
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4
1
1
1
333.15
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2
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3
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2
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2
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1
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3
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1
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4
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1
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4
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2
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3
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4
1
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1
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2
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2
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4
1
1
1
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5
2
27500
3
1
1059
4
1
1
1
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5
2
30000
1
1
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3
1
1
1
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2
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3
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4
1
1
1
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2
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1063
4
1
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1
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4
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4
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4
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4
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4
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3
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3
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3
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3
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5
2
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3
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5
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3
1
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3
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3
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3
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3
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3
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3
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3
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3
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3
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3
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3
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3
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3
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5
2
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3
1
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3
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2
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1
939
3
1
1
1
473.15
5
2
22500
3
1
942
3
1
1
1
473.15
5
2
25000
2
1
945
3
1
1
1
473.15
5
2
27500
3
1
948
3
1
1
1
473.15
5
2
30000
1
1
950
2
1
1
1
473.15
5
2
32500
3
1
953
3
1
1
1
473.15
5
2
35000
2
1
955
3
1
1
1
473.15
5
2
37500
3
1
958
3
1
1
5
2
1
Principal objective of the work
EP
EP
9/5/2019
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
293.15
5
1
1045.6
5
1
0.9
1
298.15
5
1
1041.8
5
1
0.9
1
313.15
5
1
1030
5
1
0.9
1
333.15
5
1
1011.3
5
1
0.9
6
2
1
Principal objective of the work
EP
EP
9/5/2019
1
Refractive index (Na D-line)
Standard Abbe refractometry
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
100
1
1
1.53876
6
1
0.00037
7
2
1
Principal objective of the work
EP
EP
9/5/2019
1
Speed of sound, m/s
Single path-length method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
100
1
2
Frequency, MHz
Liquid
3
1
1
Temperature, K
Liquid
1
293.15
5
1
1541
4
1
3
1
298.15
5
1
1526
4
1
3
1
313.15
5
1
1479
4
1
3
1
333.15
5
1
1417
4
1
3
8
2
1
Principal objective of the work
EP
EP
9/5/2019
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
500
1
1
1042
4
1
1
1
298.15
5
2
1000
1
1
1042
4
1
1
1
298.15
5
2
2500
2
1
1043
4
1
1
1
298.15
5
2
5000
1
1
1044
4
1
1
1
298.15
5
2
7500
2
1
1045
4
1
1
1
298.15
5
2
10000
1
1
1046
4
1
1
1
298.15
5
2
12500
3
1
1047
4
1
1
1
298.15
5
2
15000
2
1
1049
4
1
1
1
298.15
5
2
17500
3
1
1050
3
1
1
1
298.15
5
2
20000
1
1
1051
4
1
1
1
298.15
5
2
22500
3
1
1052
4
1
1
1
298.15
5
2
25000
2
1
1053
4
1
1
1
298.15
5
2
27500
3
1
1055
4
1
1
1
298.15
5
2
30000
1
1
1056
4
1
1
1
298.15
5
2
32500
3
1
1057
4
1
1
1
298.15
5
2
35000
2
1
1058
4
1
1
1
318.15
5
2
500
1
1
1026
4
1
1
1
318.15
5
2
1000
1
1
1026
4
1
1
1
318.15
5
2
2500
2
1
1027
4
1
1
1
318.15
5
2
5000
1
1
1028
4
1
1
1
318.15
5
2
7500
2
1
1030
3
1
1
1
318.15
5
2
10000
1
1
1031
4
1
1
1
318.15
5
2
12500
3
1
1032
4
1
1
1
318.15
5
2
15000
2
1
1034
4
1
1
1
318.15
5
2
17500
3
1
1035
4
1
1
1
318.15
5
2
20000
1
1
1036
4
1
1
1
318.15
5
2
22500
3
1
1037
4
1
1
1
318.15
5
2
25000
2
1
1039
4
1
1
1
318.15
5
2
27500
3
1
1040
3
1
1
1
318.15
5
2
30000
1
1
1041
4
1
1
1
318.15
5
2
32500
3
1
1042
4
1
1
1
318.15
5
2
35000
2
1
1043
4
1
1
1
338.15
5
2
500
1
1
1010
3
1
1
1
338.15
5
2
1000
1
1
1010
3
1
1
1
338.15
5
2
2500
2
1
1011
4
1
1
1
338.15
5
2
5000
1
1
1013
4
1
1
1
338.15
5
2
7500
2
1
1014
4
1
1
1
338.15
5
2
10000
1
1
1016
4
1
1
1
338.15
5
2
12500
3
1
1017
4
1
1
1
338.15
5
2
15000
2
1
1018
4
1
1
1
338.15
5
2
17500
3
1
1020
3
1
1
1
338.15
5
2
20000
1
1
1021
4
1
1
1
338.15
5
2
22500
3
1
1023
4
1
1
1
338.15
5
2
25000
2
1
1024
4
1
1
1
338.15
5
2
27500
3
1
1025
4
1
1
1
338.15
5
2
30000
1
1
1026
4
1
1
1
338.15
5
2
32500
3
1
1028
4
1
1
1
338.15
5
2
35000
2
1
1029
4
1
1
1
358.15
5
2
500
1
1
994
3
1
1
1
358.15
5
2
1000
1
1
994
3
1
1
1
358.15
5
2
2500
2
1
995
3
1
1
1
358.15
5
2
5000
1
1
997
3
1
1
1
358.15
5
2
7500
2
1
998
3
1
1
1
358.15
5
2
10000
1
1
1000
1
1
1
1
358.15
5
2
12500
3
1
1001
4
1
1
1
358.15
5
2
15000
2
1
1003
4
1
1
1
358.15
5
2
17500
3
1
1005
4
1
1
1
358.15
5
2
20000
1
1
1006
4
1
1
1
358.15
5
2
22500
3
1
1007
4
1
1
1
358.15
5
2
25000
2
1
1009
4
1
1
1
358.15
5
2
27500
3
1
1010
3
1
1
1
358.15
5
2
30000
1
1
1012
4
1
1
1
358.15
5
2
32500
3
1
1013
4
1
1
1
358.15
5
2
35000
2
1
1014
4
1
1
1
378.15
5
2
500
1
1
977
3
1
1
1
378.15
5
2
1000
1
1
978
3
1
1
1
378.15
5
2
2500
2
1
979
3
1
1
1
378.15
5
2
5000
1
1
980
2
1
1
1
378.15
5
2
7500
2
1
982
3
1
1
1
378.15
5
2
10000
1
1
984
3
1
1
1
378.15
5
2
12500
3
1
985
3
1
1
1
378.15
5
2
15000
2
1
987
3
1
1
1
378.15
5
2
17500
3
1
989
3
1
1
1
378.15
5
2
20000
1
1
990
2
1
1
1
378.15
5
2
22500
3
1
992
3
1
1
1
378.15
5
2
25000
2
1
994
3
1
1
1
378.15
5
2
27500
3
1
995
3
1
1
1
378.15
5
2
30000
1
1
997
3
1
1
1
378.15
5
2
32500
3
1
998
3
1
1
1
378.15
5
2
35000
2
1
1000
1
1
1
1
398.15
5
2
500
1
1
960
2
1
1
1
398.15
5
2
1000
1
1
960
2
1
1
1
398.15
5
2
2500
2
1
962
3
1
1
1
398.15
5
2
5000
1
1
963
3
1
1
1
398.15
5
2
7500
2
1
965
3
1
1
1
398.15
5
2
10000
1
1
967
3
1
1
1
398.15
5
2
12500
3
1
969
3
1
1
1
398.15
5
2
15000
2
1
971
3
1
1
1
398.15
5
2
17500
3
1
973
3
1
1
1
398.15
5
2
20000
1
1
974
3
1
1
1
398.15
5
2
22500
3
1
976
3
1
1
1
398.15
5
2
25000
2
1
978
3
1
1
1
398.15
5
2
27500
3
1
979
3
1
1
1
398.15
5
2
30000
1
1
981
3
1
1
1
398.15
5
2
32500
3
1
983
3
1
1
1
398.15
5
2
35000
2
1
985
3
1
1
1
418.15
5
2
500
1
1
942
3
1
1
1
418.15
5
2
1000
1
1
943
3
1
1
1
418.15
5
2
2500
2
1
944
3
1
1
1
418.15
5
2
5000
1
1
946
3
1
1
1
418.15
5
2
7500
2
1
948
3
1
1
1
418.15
5
2
10000
1
1
950
2
1
1
1
418.15
5
2
12500
3
1
952
3
1
1
1
418.15
5
2
15000
2
1
954
3
1
1
1
418.15
5
2
17500
3
1
956
3
1
1
1
418.15
5
2
20000
1
1
958
3
1
1
1
418.15
5
2
22500
3
1
960
2
1
1
1
418.15
5
2
25000
2
1
962
3
1
1
1
418.15
5
2
27500
3
1
964
3
1
1
1
418.15
5
2
30000
1
1
965
3
1
1
1
418.15
5
2
32500
3
1
967
3
1
1
1
418.15
5
2
35000
2
1
969
3
1
1
1
438.15
5
2
500
1
1
924
3
1
1
1
438.15
5
2
1000
1
1
924
3
1
1
1
438.15
5
2
2500
2
1
926
3
1
1
1
438.15
5
2
5000
1
1
928
3
1
1
1
438.15
5
2
7500
2
1
930
2
1
1
1
438.15
5
2
10000
1
1
933
3
1
1
1
438.15
5
2
12500
3
1
935
3
1
1
1
438.15
5
2
15000
2
1
937
3
1
1
1
438.15
5
2
17500
3
1
939
3
1
1
1
438.15
5
2
20000
1
1
941
3
1
1
1
438.15
5
2
22500
3
1
944
3
1
1
1
438.15
5
2
25000
2
1
946
3
1
1
1
438.15
5
2
27500
3
1
948
3
1
1
1
438.15
5
2
30000
1
1
949
3
1
1
1
438.15
5
2
32500
3
1
952
3
1
1
1
438.15
5
2
35000
2
1
953
3
1
1
1
458.15
5
2
500
1
1
904
3
1
1
1
458.15
5
2
1000
1
1
905
3
1
1
1
458.15
5
2
2500
2
1
907
3
1
1
1
458.15
5
2
5000
1
1
909
3
1
1
1
458.15
5
2
7500
2
1
912
3
1
1
1
458.15
5
2
10000
1
1
915
3
1
1
1
458.15
5
2
12500
3
1
917
3
1
1
1
458.15
5
2
15000
2
1
920
2
1
1
1
458.15
5
2
17500
3
1
922
3
1
1
1
458.15
5
2
20000
1
1
924
3
1
1
1
458.15
5
2
22500
3
1
927
3
1
1
1
458.15
5
2
25000
2
1
929
3
1
1
1
458.15
5
2
27500
3
1
931
3
1
1
1
458.15
5
2
30000
1
1
933
3
1
1
1
458.15
5
2
32500
3
1
935
3
1
1
1
458.15
5
2
35000
2
1
937
3
1
1
1
473.15
5
2
500
1
1
889
3
1
1
1
473.15
5
2
1000
1
1
891
3
1
1
1
473.15
5
2
2500
2
1
892
3
1
1
1
473.15
5
2
5000
1
1
895
3
1
1
1
473.15
5
2
7500
2
1
898
3
1
1
1
473.15
5
2
10000
1
1
901
3
1
1
1
473.15
5
2
12500
3
1
903
3
1
1
1
473.15
5
2
15000
2
1
906
3
1
1
1
473.15
5
2
17500
3
1
909
3
1
1
1
473.15
5
2
20000
1
1
911
3
1
1
1
473.15
5
2
22500
3
1
914
3
1
1
1
473.15
5
2
25000
2
1
916
3
1
1
1
473.15
5
2
27500
3
1
919
3
1
1
1
473.15
5
2
30000
1
1
921
3
1
1
1
473.15
5
2
32500
3
1
923
3
1
1
1
473.15
5
2
35000
2
1
925
3
1
1
9
3
1
Principal objective of the work
EP
EP
9/5/2019
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
100
1
1
Temperature, K
Liquid
1
293.15
5
1
872.9
4
1
0.9
1
298.15
5
1
868
4
1
0.9
1
313.15
5
1
853.3
4
1
0.9
1
333.15
5
1
833.3
4
1
0.9
10
3
1
Principal objective of the work
EP
EP
9/5/2019
1
Refractive index (Na D-line)
Standard Abbe refractometry
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
100
1
1
1.39852
6
1
0.00037
11
3
1
Principal objective of the work
EP
EP
9/5/2019
1
Speed of sound, m/s
Single path-length method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
100
1
2
Frequency, MHz
Liquid
3
1
1
Temperature, K
Liquid
1
293.15
5
1
1213
4
1
3
1
298.15
5
1
1193
4
1
3
1
313.15
5
1
1132
4
1
3
1
333.15
5
1
1045
4
1
3
12
3
1
Principal objective of the work
EP
EP
9/5/2019
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
293.15
5
2
500
1
1
874
3
1
1
1
293.15
5
2
1000
1
1
874
3
1
1
1
293.15
5
2
2500
2
1
875
3
1
1
1
293.15
5
2
5000
1
1
877
3
1
1
1
293.15
5
2
7500
2
1
879
3
1
1
1
293.15
5
2
10000
1
1
881
3
1
1
1
293.15
5
2
12500
3
1
883
3
1
1
1
293.15
5
2
15000
2
1
885
3
1
1
1
293.15
5
2
17500
3
1
887
3
1
1
1
293.15
5
2
20000
1
1
889
3
1
1
1
293.15
5
2
22500
3
1
891
3
1
1
1
293.15
5
2
25000
2
1
893
3
1
1
1
293.15
5
2
27500
3
1
895
3
1
1
1
293.15
5
2
30000
1
1
896
3
1
1
1
293.15
5
2
32500
3
1
898
3
1
1
1
293.15
5
2
35000
2
1
899
3
1
1
1
293.15
5
2
37500
3
1
901
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