2
0
2010
cib
0
journal
Original
Cibulka, I.[Ivan]
J. Chem. Thermodyn.
2010
2020-09-29
Partial molar volumes of organic solutes in water. XXII. Cyclic ethers at temperatures (298 to 573) K and pressures up to 30 MPa
Density values for dilute aqueous solutions of five cyclic ethers (oxolane, 1,3-dioxolane, oxane, 1,4-dioxane, and 1,3,5-trioxane) are presented together with partial molar volumes at infinite dilution calculated from the experimental results. The measurements were performed at temperatures from (298 up to 573) K. Due to thermal decomposition, the upper temperature limit was lower for 1,3-dioxolane (448 K) and 1,3,5-trioxane (498 K). Experimental pressures were close to the saturated vapour pressure of water, and (15 and 30) MPa. The results were obtained using a high-temperature high-pressure flow vibrating-tube densimeter. Experimental standard partial molar volumes were correlated as a function of temperature and pressure using an empirical polynomial function and the semi-theoretical SOCW equation of state. Contributions of the group contribution method proposed previously were also evaluated and analyzed.
Density
Partial molar volume
Aqueous cyclic ethers
Oxolane
1,3-Dioxolane
Oxane
1,4-Dioxane
1,3,5-Trioxane
High temperature
High pressure
SOCW equation
Group contributions
10.1016/j.jct.2009.11.005
4
42
502-512
1
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
WYURNTSHIVDZCO-UHFFFAOYSA-N
tetrahydrofuran
1,4-epoxybutane
THF
oxacyclopentane
oxolane
tetramethylene oxide
C4H8O
1
Commercial source
1
99
2
Stated by supplier
2
None used
2
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
WNXJIVFYUVYPPR-UHFFFAOYSA-N
1,3-dioxolane
1,3-dioxacyclopentane
1,3-dioxolan
dihydro-1,3-dioxole
ethylene glycol methylene ether
formaldehyde ethylene acetal
C3H6O2
1
Commercial source
1
99
2
Stated by supplier
2
None used
3
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
DHXVGJBLRPWPCS-UHFFFAOYSA-N
tetrahydropyran
oxacyclohexane
oxane
pentamethylene oxide
tetrahydro-2H-pyran
tetrahydropyrane
C5H10O
1
Commercial source
1
99
2
Stated by supplier
2
None used
4
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
RYHBNJHYFVUHQT-UHFFFAOYSA-N
1,4-dioxane
1,4-dioxacyclohexane
dioxane
p-dioxane
tetrahydro-1,4-dioxin
C4H8O2
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
5
InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
BGJSXRVXTHVRSN-UHFFFAOYSA-N
1,3,5-trioxane
1,3,5-trioxacyclohexane
s-trioxane
trioxymethylene
C3H6O3
1
Commercial source
1
99
2
Stated by supplier
2
None used
6
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.5
3
Estimated by the compiler
1
1
1
6
1
Principal objective of the work
PW
TRC
6/3/2010
1
Partial molar volume, m3/mol
Derived analytically
1
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
1
Liquid
0
1
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.16
5
2
15040
4
1
7.672e-05
4
1
6.8e-07
1
298.16
5
2
30070
4
1
7.651e-05
4
1
6.8e-07
1
318.16
5
2
15030
4
1
7.797e-05
4
1
7.1e-07
1
318.16
5
2
30060
4
1
7.762e-05
4
1
7e-07
1
338.15
5
2
15040
4
1
7.951e-05
4
1
7.1e-07
1
338.15
5
2
30040
4
1
7.9e-05
4
1
6.9e-07
1
358.17
5
2
30020
4
1
8.072e-05
4
1
7.1e-07
1
358.18
5
2
15040
4
1
8.14e-05
4
1
7.4e-07
1
373.18
5
2
30040
4
1
8.226e-05
4
1
7.4e-07
1
373.19
5
2
15030
4
1
8.305e-05
4
1
7.6e-07
1
398.18
5
2
2030
3
1
8.712e-05
4
1
7.7e-07
1
398.18
5
2
15030
4
1
8.615e-05
4
1
7.3e-07
1
398.18
5
2
30050
4
1
8.511e-05
4
1
7.7e-07
1
423.17
5
2
2040
3
1
9.109e-05
4
1
8.1e-07
1
423.17
5
2
15060
4
1
8.976e-05
4
1
8e-07
1
423.17
5
2
30050
4
1
8.836e-05
4
1
8e-07
1
448.16
5
2
2060
3
1
9.598e-05
4
1
1.03e-06
1
448.16
5
2
30030
4
1
9.224e-05
4
1
8.3e-07
1
448.17
5
2
15050
4
1
9.409e-05
4
1
1.03e-06
1
473.17
5
2
30040
4
1
9.669e-05
4
1
8.9e-07
1
473.18
5
2
2070
3
1
0.00010164
5
1
1.04e-06
1
473.18
5
2
15030
4
1
9.912e-05
4
1
9.3e-07
1
498.16
5
2
2990
3
1
0.00010866
5
1
9.8e-07
1
498.17
5
2
15030
4
1
0.00010531
5
1
9.7e-07
1
498.17
5
2
30060
4
1
0.00010183
5
1
9.6e-07
1
523.14
5
2
5020
3
1
0.00011745
5
1
1.09e-06
1
523.14
5
2
14990
4
1
0.00011335
5
1
1.08e-06
1
523.14
5
2
30030
4
1
0.00010845
5
1
9.6e-07
1
548.19
5
2
7050
3
1
0.00013025
5
1
1.14e-06
1
548.2
5
2
15040
4
1
0.00012446
5
1
1.15e-06
1
548.2
5
2
30050
4
1
0.00011671
5
1
1.09e-06
1
573.17
5
2
30030
4
1
0.00012791
5
1
1.21e-06
1
573.18
5
2
10170
4
1
0.00014827
5
1
1.37e-06
1
573.18
5
2
15030
4
1
0.00014153
5
1
1.28e-06
2
2
1
6
1
Principal objective of the work
PW
TRC
6/3/2010
1
Partial molar volume, m3/mol
Derived analytically
2
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
2
Liquid
0
1
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
30060
4
1
6.512e-05
4
1
6.4e-07
1
298.17
5
2
15030
4
1
6.529e-05
4
1
6.5e-07
1
318.16
5
2
15030
4
1
6.69e-05
4
1
6.5e-07
1
318.16
5
2
30050
4
1
6.659e-05
4
1
6.5e-07
1
338.15
5
2
15040
4
1
6.855e-05
4
1
6.5e-07
1
338.15
5
2
30040
4
1
6.816e-05
4
1
6.5e-07
1
358.17
5
2
15020
4
1
7.031e-05
4
1
6.6e-07
1
358.17
5
2
30020
4
1
6.978e-05
4
1
6.6e-07
1
373.18
5
2
30040
4
1
7.105e-05
4
1
6.6e-07
1
373.19
5
2
15040
4
1
7.17e-05
4
1
6.7e-07
1
398.18
5
2
2020
3
1
7.501e-05
4
1
6.8e-07
1
398.18
5
2
15040
4
1
7.422e-05
4
1
6.8e-07
1
398.18
5
2
30060
4
1
7.341e-05
4
1
6.7e-07
1
423.17
5
2
2040
3
1
7.801e-05
4
1
6.9e-07
1
423.17
5
2
15010
4
1
7.703e-05
4
1
6.9e-07
1
423.18
5
2
30050
4
1
7.603e-05
4
1
6.8e-07
1
448.16
5
2
2060
3
1
8.128e-05
4
1
7.4e-07
1
448.17
5
2
15040
4
1
7.999e-05
4
1
7e-07
1
448.17
5
2
30060
4
1
7.865e-05
4
1
7.1e-07
3
3
1
6
1
Principal objective of the work
PW
TRC
6/3/2010
1
Partial molar volume, m3/mol
Derived analytically
3
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
3
Liquid
0
1
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.16
5
2
15040
4
1
9.163e-05
4
1
7.5e-07
1
298.16
5
2
30080
4
1
9.144e-05
4
1
7.5e-07
1
318.16
5
2
15040
4
1
9.304e-05
4
1
7.5e-07
1
318.16
5
2
30060
4
1
9.266e-05
4
1
7.5e-07
1
338.15
5
2
15050
4
1
9.499e-05
4
1
8.2e-07
1
338.15
5
2
30040
4
1
9.441e-05
4
1
8.2e-07
1
358.17
5
2
30020
4
1
9.647e-05
4
1
8.2e-07
1
358.18
5
2
15050
4
1
9.724e-05
4
1
8.2e-07
1
373.18
5
2
30040
4
1
9.83e-05
4
1
8.3e-07
1
373.19
5
2
15030
4
1
9.924e-05
4
1
8.3e-07
1
398.18
5
2
2030
3
1
0.0001041
5
1
8.5e-07
1
398.18
5
2
15030
4
1
0.00010299
5
1
8.4e-07
1
398.18
5
2
30050
4
1
0.00010176
5
1
8.2e-07
1
423.17
5
2
2040
3
1
0.00010883
5
1
8.6e-07
1
423.17
5
2
15060
4
1
0.0001073
5
1
8.6e-07
1
423.18
5
2
30050
4
1
0.00010567
5
1
8.5e-07
1
448.16
5
2
2060
3
1
0.00011467
5
1
1.11e-06
1
448.16
5
2
30030
4
1
0.00011016
5
1
9.3e-07
1
448.17
5
2
15050
4
1
0.00011225
5
1
1.07e-06
1
473.17
5
2
30040
4
1
0.00011543
5
1
9.7e-07
1
473.18
5
2
2070
3
1
0.0001213
5
1
1.01e-06
1
473.18
5
2
15030
4
1
0.00011828
5
1
9.8e-07
1
498.16
5
2
2990
3
1
0.00012935
5
1
1.06e-06
1
498.17
5
2
15030
4
1
0.00012544
5
1
1.08e-06
1
498.17
5
2
30060
4
1
0.00012144
5
1
1.04e-06
1
523.14
5
2
5020
3
1
0.00013945
5
1
1.23e-06
1
523.14
5
2
14990
4
1
0.00013467
5
1
1.16e-06
1
523.14
5
2
30030
4
1
0.00012912
5
1
1.15e-06
1
548.19
5
2
7050
3
1
0.00015374
5
1
1.29e-06
1
548.2
5
2
15040
4
1
0.00014699
5
1
1.24e-06
1
548.2
5
2
30040
4
1
0.00013808
5
1
1.18e-06
1
573.17
5
2
30030
4
1
0.00015039
5
1
1.63e-06
1
573.18
5
2
10170
4
1
0.00017414
5
1
1.74e-06
1
573.18
5
2
15020
4
1
0.00016624
5
1
1.64e-06
4
4
1
6
1
Principal objective of the work
PW
TRC
6/3/2010
1
Partial molar volume, m3/mol
Derived analytically
4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
4
Liquid
0
1
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.16
5
2
15030
4
1
8.083e-05
4
1
7e-07
1
298.16
5
2
30070
4
1
8.06e-05
4
1
7e-07
1
318.16
5
2
15030
4
1
8.248e-05
4
1
7.1e-07
1
318.16
5
2
30050
4
1
8.211e-05
4
1
7.1e-07
1
338.15
5
2
15050
4
1
8.416e-05
4
1
7.1e-07
1
338.15
5
2
30040
4
1
8.364e-05
4
1
7.1e-07
1
358.17
5
2
15020
4
1
8.593e-05
4
1
7.2e-07
1
358.17
5
2
30020
4
1
8.532e-05
4
1
7.2e-07
1
373.18
5
2
30040
4
1
8.667e-05
4
1
7.2e-07
1
373.19
5
2
15040
4
1
8.739e-05
4
1
7.3e-07
1
398.18
5
2
2020
3
1
9.098e-05
4
1
7.4e-07
1
398.18
5
2
15040
4
1
9.008e-05
4
1
7.4e-07
1
398.18
5
2
30060
4
1
8.917e-05
4
1
7.3e-07
1
423.17
5
2
2040
3
1
9.425e-05
4
1
7.5e-07
1
423.17
5
2
15020
4
1
9.313e-05
4
1
7.5e-07
1
423.18
5
2
30050
4
1
9.199e-05
4
1
7.4e-07
1
448.16
5
2
2060
3
1
9.818e-05
4
1
7.7e-07
1
448.17
5
2
15040
4
1
9.67e-05
4
1
7.6e-07
1
448.17
5
2
30060
4
1
9.523e-05
4
1
7.6e-07
1
473.17
5
2
15030
4
1
0.00010078
5
1
8.6e-07
1
473.17
5
2
30040
4
1
9.884e-05
4
1
8.3e-07
1
473.18
5
2
2070
3
1
0.00010282
5
1
8.6e-07
1
498.16
5
2
3000
1
1
0.00010837
5
1
8.2e-07
1
498.16
5
2
15030
4
1
0.00010576
5
1
8.1e-07
1
498.17
5
2
30060
4
1
0.00010298
5
1
8.4e-07
1
523.14
5
2
5010
3
1
0.00011537
5
1
8.7e-07
1
523.15
5
2
15020
4
1
0.00011213
5
1
8.6e-07
1
523.15
5
2
30030
4
1
0.00010836
5
1
8.4e-07
1
548.21
5
2
7080
3
1
0.00012502
5
1
9.3e-07
1
548.21
5
2
15050
4
1
0.00012077
5
1
9.1e-07
1
548.22
5
2
30020
4
1
0.00011487
5
1
8.7e-07
1
573.17
5
2
30060
4
1
0.0001235
5
1
9.8e-07
1
573.18
5
2
10180
4
1
0.0001384
5
1
1.05e-06
1
573.18
5
2
15070
4
1
0.00013353
5
1
9.9e-07
5
5
1
6
1
Principal objective of the work
PW
TRC
6/3/2010
1
Partial molar volume, m3/mol
Derived analytically
5
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
5
Liquid
0
1
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.16
5
2
15030
4
1
6.964e-05
4
1
6.6e-07
1
298.16
5
2
30070
4
1
6.95e-05
4
1
6.6e-07
1
318.16
5
2
15030
4
1
7.151e-05
4
1
6.7e-07
1
318.16
5
2
30050
4
1
7.125e-05
4
1
6.7e-07
1
338.15
5
2
15050
4
1
7.332e-05
4
1
6.7e-07
1
338.15
5
2
30040
4
1
7.293e-05
4
1
6.7e-07
1
358.17
5
2
15020
4
1
7.513e-05
4
1
6.8e-07
1
358.17
5
2
30010
4
1
7.466e-05
4
1
6.8e-07
1
373.18
5
2
30040
4
1
7.603e-05
4
1
7e-07
1
373.19
5
2
15050
4
1
7.657e-05
4
1
6.8e-07
1
398.18
5
2
2020
3
1
7.984e-05
4
1
7e-07
1
398.18
5
2
15030
4
1
7.904e-05
4
1
6.9e-07
1
398.18
5
2
30060
4
1
7.832e-05
4
1
6.9e-07
1
423.17
5
2
2040
3
1
8.27e-05
4
1
7.1e-07
1
423.17
5
2
15020
4
1
8.179e-05
4
1
7e-07
1
423.18
5
2
30050
4
1
8.087e-05
4
1
7e-07
1
448.16
5
2
2050
3
1
8.614e-05
4
1
7.3e-07
1
448.17
5
2
15040
4
1
8.489e-05
4
1
7.2e-07
1
448.17
5
2
30060
4
1
8.367e-05
4
1
7.1e-07
1
473.17
5
2
15030
4
1
8.849e-05
4
1
8e-07
1
473.17
5
2
30040
4
1
8.689e-05
4
1
7.9e-07
1
473.18
5
2
2070
3
1
9.013e-05
4
1
8.3e-07
1
498.16
5
2
3000
1
1
9.496e-05
4
1
7.8e-07
1
498.16
5
2
15030
4
1
9.28e-05
4
1
7.7e-07
1
498.17
5
2
30060
4
1
9.074e-05
4
1
8.1e-07