Name: ThermoML Representation of Published Experimental Data from Journal of Chemical and Engineering Data (0021-9568, American Chemical Society)
Creator: Thermodynamics Research Center
License: https://www.nist.gov/open/license

ABSTRACT

Experimentally determined critical temperatures (Tc) and critical pressures (Pc) are reported for 64 compounds. In addition, the critical volume (Vc) Has been experimentally determined for 14 of these compounds. The compounds in this study are of industrial interest in process design, simulation, and safety. These data also extend our understanding of and ability to predict these properties from group contribution methods.

Compounds

#	Formula	Name
1	C8H16O2	trans-1,4-bis(hydroxymethyl)cyclohexane
2	C8H16O2	cis-1,4-bis(hydroxymethyl)cyclohexane
3	C8H16	2,4,4-trimethyl-1-pentene
4	C8H8O	4-methylbenzaldehyde
5	C10H10O4	dimethyl 1,4-benzenedicarboxylate
6	C3H7NO	N-methylacetamide
7	C13H12	diphenylmethane
8	C3H6O3	dimethyl carbonate
9	C4H8O2	1-methoxy-2-propanone
10	C5H6S	2-methylthiophene
11	C5H6S	3-methylthiophene
12	C8H10O2	2-phenoxyethanol
13	C4H8O	2-methylpropanal
14	C4H10O2	2-methoxy-1-propanol
15	C4H10O2	2-ethoxyethan-1-ol
16	C4H8S	tetrahydrothiophene
17	C5H8O3	methyl 3-oxobutanoate
18	C6H10O4	ethylene diacetate
19	C6H6S	benzenethiol
20	C5H8O2	ethyl propenoate
21	C5H8O2	methyl methacrylate
22	C6H14O3	2,5,8-trioxanonane
23	C6H12S	cyclohexanethiol
24	C4H7NO	2-pyrrolidinone
25	C6H10O2	ethyl 2-methylpropenoate
26	C7H14O3	1-methoxypropan-2-yl propionate
27	C4H5N	pyrrole
28	C3H7NO	dimethylformamide
29	C11H20O2	2-ethylhexyl 2-propenoate
30	C10H22O5	2,5,8,11,14-pentaoxapentadecane
31	C5H8O2	1-methylvinyl ethanoate
32	C5H11N	piperidine
33	C8H14O2	butyl 2-methyl-2-propenoate
34	C4H7NO	3-methoxypropanenitrile
35	C8H18O4	2,5,8,11-tetraoxadodecane
36	C2H5NO	N-methylformamide
37	C3H4O3	ethylene carbonate
38	C8H16	cis-1,3-dimethylcyclohexane
39	C8H16	trans-1,2-dimethylcyclohexane
40	C8H16	ethylcyclohexane
41	C9H18	(1-methylethyl)cyclohexane
42	C4H6O2	methyl propenoate
43	C5H10O3	diethyl carbonate
44	C6H13N	N-methylpiperidine
45	C5H7N	N-methylpyrrole
46	C4H9NO	N,N-dimethylethanamide
47	C8H18O2	2,2,4-trimethyl-1,3-pentanediol
48	C10H20	1,1-dimethylethylcyclohexane
49	C10H20	butylcyclohexane
50	C10H14	butylbenzene
51	C10H14	(1-methylpropyl)benzene
52	C10H14	(1,1-dimethylethyl)benzene
53	CS2	carbon disulfide
54	C8H16	trans-1,4-dimethylcyclohexane
55	C8H16	cis-1,2-dimethylcyclohexane
56	C4H10O2	1,2-dimethoxyethane
57	C5H11N	N-methylpyrrolidine
58	C6H15NO	(diethylamino)ethanol
59	C6H14N2O	N-(2-hydroxyethyl)piperazine
60	C30H62	2,6,10,15,19,23-hexamethyltetracosane
61	C4H7N	2-methylpropanenitrile
62	C4H10O2	3-methyl-2,4-dioxapentane
63	C3H8O2	dimethoxymethane
64	C12H26O	dihexyl ether
65	C16H34O	dioctyl ether
66	C8H16O2	1,4-bis(hydroxymethyl)cyclohexane

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Phase	Method	#Points
POMD	3	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	3	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	4	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	4	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	5	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	5	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	6	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	6	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	7	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	7	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	8	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	8	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	9	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	9	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	10	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	10	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	11	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	11	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	12	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	12	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	13	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	13	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	14	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	14	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	15	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	15	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	16	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	16	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	17	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	17	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	18	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	18	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	19	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	19	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	20	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	20	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	21	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	21	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	22	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	22	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	23	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	23	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	24	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	24	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	25	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	25	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	26	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	26	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	27	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	27	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	28	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	28	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	29	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	29	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	30	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	30	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	31	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	31	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	32	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	32	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	33	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	33	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	34	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	34	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	35	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	35	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	36	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	36	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	37	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	37	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	38	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	38	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	38	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	39	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	39	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	39	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	40	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	40	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	40	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	41	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	41	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	41	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	42	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	42	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	43	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	43	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	44	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	44	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	45	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	45	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	46	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	46	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	47	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	47	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	48	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	48	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	48	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	49	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	49	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	49	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	50	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	50	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	50	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	51	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	51	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	51	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	52	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	52	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	52	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	53	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	53	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	53	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	54	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	54	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	54	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	55	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	55	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	55	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	56	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	56	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	56	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	57	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in an unstirred cell	1
POMD	57	Critical pressure, kPa ; Liquid		Liquid Gas	Visual	1
POMD	57	Critical molar volume, m3/mol ; Liquid		Liquid Gas	Visual	1
POMD	58	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	58	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	59	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	59	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	60	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	60	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	61	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	61	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	62	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	62	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	63	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	63	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	64	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	64	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	65	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	65	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	66	Critical temperature, K ; Liquid		Liquid Gas	Capillary flow	1
POMD	66	Critical pressure, kPa ; Liquid		Liquid Gas	Capillary flow	1
POMD	1 2	Critical temperature, K ; Liquid	Mass fraction - 1; Liquid	Liquid Gas	Capillary flow	1
POMD	1 2	Critical pressure, kPa ; Liquid	Mass fraction - 1; Liquid	Liquid Gas	Capillary flow	1

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development

Wilson, Loren C., Jasperson, Louis V., VonNiederhausern, David, Giles, Neil F., Ihmels, Christian

ABSTRACT