Chemical Properties of Benzenethiol (CAS 108-98-5)

InChI

InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H

InChI Key

RMVRSNDYEFQCLF-UHFFFAOYSA-N

Formula

C6H6S

SMILES

Sc1ccccc1

Molecular Weight¹

110.18

CAS

108-98-5

Other Names

• 930-69-8
• NSC 6953
• PHENYL MERCAPTANE
• Phenyl mercaptan
• Phenylthiol
• Rcra waste number P014
• Thiofenol
• UN 2337
• USAF XR-19
• mercaptobenzene
• phenol, thio-
• thiophenol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.2628; 0.2940]
ω	0.2840		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2628		ChemSep v8.3 pure component data Compiled value
ω	0.2940		KDB
ΔcH°liquid	-3884.60 ± 0.63	kJ/mol	NIST
μ	1.23	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	147.60	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	[112.40; 112.40]	kJ/mol
ΔfH°gas	112.40	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	112.40 ± 0.88	kJ/mol	NIST
ΔfH°liquid	63.68 ± 0.84	kJ/mol	NIST
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	[47.56; 48.70]	kJ/mol
ΔvapH°	47.56	kJ/mol	NIST
ΔvapH°	48.70	kJ/mol	NIST
ΔvapH°	48.70	kJ/mol	NIST
IE	[8.28; 9.00]	eV
IE	8.30 ± 0.01	eV	NIST
IE	8.30 ± 0.05	eV	NIST
IE	8.30	eV	NIST
IE	8.30	eV	NIST
IE	8.36	eV	NIST
IE	Outlier 9.00 ± 0.10	eV	NIST
IE	8.28	eV	NIST
IE	8.32 ± 0.01	eV	NIST
IE	8.50	eV	NIST
IE	8.49	eV	NIST
IE	8.47	eV	NIST
log10WS	[-2.12; -2.12]
log10WS	-2.12		Aq. Solubility Prediction
log10WS	-2.12		Estimated Solubility
logPoct/wat	1.975		Crippen Calculated Property
McVol	87.990	ml/mol	McGowan Calculated Property
Pc	[4600.00; 4740.00]	kPa
Pc	4600.15	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4740.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	4600.00	kPa	KDB
Ptriple	7.68e-03	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[933.00; 999.00]
Inp	999.00		NIST
Inp	999.00		NIST
Inp	942.00		NIST
Inp	933.00		NIST
Inp	966.00		NIST
Ip	1491.00		NIST
S°liquid	[220.10; 222.80]	J/mol×K
S°liquid	222.80	J/mol×K	NIST
S°liquid	220.10	J/mol×K	NIST
Tboil	[441.15; 442.70]	K
Tboil	Outlier 441.15	K	ChemSep v8.3 pure component data Compiled value
Tboil	442.30	K	KDB
Tboil	441.90	K	NIST
Tboil	442.30	K	NIST
Tboil	442.60	K	NIST
Tboil	442.25 ± 0.20	K	NIST
Tboil	442.70 ± 0.50	K	NIST
Tc	[685.00; 689.50]	K
Tc	689.20	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	685.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	689.00	K	ChemSep v8.3 pure component data Compiled value
Tc	685.00	K	KDB
Tc	689.50	K	NIST
Tfus	[249.85; 258.30]	K
Tfus	258.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	258.20	K	ChemSep v8.3 pure component data Compiled value
Tfus	258.00	K	KDB
Tfus	Outlier 249.85	K	Aq. Solubility Prediction
Tfus	258.21 ± 0.02	K	NIST
Tfus	258.30 ± 0.20	K	NIST
Tfus	258.25 ± 0.15	K	NIST
Tfus	258.30 ± 0.20	K	NIST
Tfus	258.25 ± 0.15	K	NIST
Ttriple	[258.20; 258.27]	K
Ttriple	258.27	K	ChemSep v8.3 pure component data Compiled value
Ttriple	258.27	K	KDB
Ttriple	258.27 ± 0.05	K	NIST
Ttriple	258.20 ± 0.20	K	NIST
Ttriple	258.27 ± 0.05	K	NIST
Ttriple	258.20 ± 0.20	K	NIST
UQi	3.46		ChemSep v8.3 pure component data Compiled value
URi	4.00		ChemSep v8.3 pure component data Compiled value
Vc	[0.315; 0.317]	m3/kmol
Vc	0.317	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.315	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2610000		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[173.22; 176.56]	J/mol×K	[298.10; 298.15]
Cp,liquid	176.56	J/mol×K	298.10	NIST
Cp,liquid	173.22	J/mol×K	298.15	NIST
ΔfusH	[11.45; 11.48]	kJ/mol	[258.20; 258.27]
ΔfusH	11.48	kJ/mol	258.20	NIST
ΔfusH	11.48	kJ/mol	258.20	NIST
ΔfusH	11.48	kJ/mol	258.20	NIST
ΔfusH	11.48	kJ/mol	258.20	NIST
ΔfusH	11.45	kJ/mol	258.27	NIST
ΔfusH	11.45	kJ/mol	258.27	NIST
ΔvapH	[39.93; 48.70]	kJ/mol	[375.00; 442.30]
ΔvapH	43.80 ± 0.10	kJ/mol	375.00	NIST
ΔvapH	48.70 ± 0.20	kJ/mol	375.00	NIST
ΔvapH	48.70 ± 0.20	kJ/mol	375.00	NIST
ΔvapH	43.80 ± 0.10	kJ/mol	375.00	NIST
ΔvapH	44.30	kJ/mol	382.00	NIST
ΔvapH	42.60 ± 0.10	kJ/mol	395.00	NIST
ΔvapH	42.60 ± 0.10	kJ/mol	395.00	NIST
ΔvapH	45.90	kJ/mol	402.00	NIST
ΔvapH	41.80 ± 0.10	kJ/mol	407.00	NIST
ΔvapH	41.80 ± 0.10	kJ/mol	407.00	NIST
ΔvapH	41.30 ± 0.10	kJ/mol	417.00	NIST
ΔvapH	41.30 ± 0.10	kJ/mol	417.00	NIST
ΔvapH	43.10	kJ/mol	435.50	NIST
ΔvapH	43.10	kJ/mol	435.50	NIST
ΔvapH	39.93	kJ/mol	442.30	NIST
ΔvapH	40.59	kJ/mol	442.30	KDB
ΔfusS	[44.32; 44.45]	J/mol×K	[258.20; 258.27]
ΔfusS	44.45	J/mol×K	258.20	NIST
ΔfusS	44.45	J/mol×K	258.20	NIST
ΔfusS	44.32	J/mol×K	258.27	NIST
ΔfusS	44.32	J/mol×K	258.27	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	350.00	K	4.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[76.89; 267.39]	J/mol×K	[200.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·((C/T)/sinh(C/T))² + D·((E/T)/cosh(E/T))² Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.89500e+01
Coefficient B			2.32750e+02
Coefficient C			1.51200e+03
Coefficient D			1.75160e+02
Coefficient E			6.97900e+02
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	76.89	J/mol×K	200.00	Calculated Property
Cp,gas	120.01	J/mol×K	344.44	Calculated Property
Cp,gas	160.84	J/mol×K	488.89	Calculated Property
Cp,gas	190.66	J/mol×K	633.33	Calculated Property
Cp,gas	213.01	J/mol×K	777.78	Calculated Property
Cp,gas	230.06	J/mol×K	922.22	Calculated Property
Cp,gas	243.16	J/mol×K	1066.67	Calculated Property
Cp,gas	253.28	J/mol×K	1211.11	Calculated Property
Cp,gas	261.17	J/mol×K	1355.56	Calculated Property
Cp,gas	267.39	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[166.36; 199.54]	J/mol×K	[258.27; 442.29]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.19780e+02
Coefficient B			1.80340e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			258.27
Temperature range, max.			442.29
Cp,liquid	166.36	J/mol×K	258.27	Calculated Property
Cp,liquid	170.04	J/mol×K	278.72	Calculated Property
Cp,liquid	173.73	J/mol×K	299.16	Calculated Property
Cp,liquid	177.42	J/mol×K	319.61	Calculated Property
Cp,liquid	181.11	J/mol×K	340.06	Calculated Property
Cp,liquid	184.79	J/mol×K	360.50	Calculated Property
Cp,liquid	188.48	J/mol×K	380.95	Calculated Property
Cp,liquid	192.17	J/mol×K	401.40	Calculated Property
Cp,liquid	195.86	J/mol×K	421.84	Calculated Property
Cp,liquid	199.54	J/mol×K	442.29	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020472; 0.0003333]	Pa×s	[258.27; 442.29]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.45620e+00
Coefficient B			1.02440e+03
Coefficient C			-3.06350e-01
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			258.27
Temperature range, max.			442.29
η	0.0020472	Pa×s	258.27	Calculated Property
η	0.0014951	Pa×s	278.72	Calculated Property
η	0.0011380	Pa×s	299.16	Calculated Property
η	0.0008958	Pa×s	319.61	Calculated Property
η	0.0007249	Pa×s	340.06	Calculated Property
η	0.0006002	Pa×s	360.50	Calculated Property
η	0.0005067	Pa×s	380.95	Calculated Property
η	0.0004348	Pa×s	401.40	Calculated Property
η	0.0003784	Pa×s	421.84	Calculated Property
η	0.0003333	Pa×s	442.29	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[50.60; 0.00]	kJ/mol	[258.27; 689.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			6.22500e+01
Coefficient B			4.41200e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			6.89000e+02
Temperature range, min.			258.27
Temperature range, max.			689.00
ΔvapH	50.60	kJ/mol	258.27	Calculated Property
ΔvapH	48.04	kJ/mol	306.13	Calculated Property
ΔvapH	45.29	kJ/mol	353.99	Calculated Property
ΔvapH	42.31	kJ/mol	401.85	Calculated Property
ΔvapH	39.04	kJ/mol	449.71	Calculated Property
ΔvapH	35.38	kJ/mol	497.56	Calculated Property
ΔvapH	31.16	kJ/mol	545.42	Calculated Property
ΔvapH	26.06	kJ/mol	593.28	Calculated Property
ΔvapH	19.19	kJ/mol	641.14	Calculated Property
ΔvapH	0.00	kJ/mol	689.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[327.23; 470.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42760e+01
Coefficient B			-3.57716e+03
Coefficient C			-7.15030e+01
Temperature range, min.			327.23
Temperature range, max.			470.54
Pvap	1.33	kPa	327.23	Calculated Property
Pvap	3.03	kPa	343.15	Calculated Property
Pvap	6.28	kPa	359.08	Calculated Property
Pvap	12.06	kPa	375.00	Calculated Property
Pvap	21.69	kPa	390.92	Calculated Property
Pvap	36.92	kPa	406.85	Calculated Property
Pvap	59.88	kPa	422.77	Calculated Property
Pvap	93.13	kPa	438.69	Calculated Property
Pvap	139.62	kPa	454.62	Calculated Property
Pvap	202.65	kPa	470.54	Calculated Property
Pvap	[7.68e-03; 4728.15]	kPa	[258.27; 689.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			7.08572e+01
Coefficient B			-8.45510e+03
Coefficient C			-7.74040e+00
Coefficient D			4.30890e-18
Coefficient E			6.00000e+00
Temperature range, min.			258.27
Temperature range, max.			689.00
Pvap	7.68e-03	kPa	258.27	Calculated Property
Pvap	0.34	kPa	306.13	Calculated Property
Pvap	4.71	kPa	353.99	Calculated Property
Pvap	30.65	kPa	401.85	Calculated Property
Pvap	122.55	kPa	449.71	Calculated Property
Pvap	352.09	kPa	497.56	Calculated Property
Pvap	806.07	kPa	545.42	Calculated Property
Pvap	1581.47	kPa	593.28	Calculated Property
Pvap	2809.65	kPa	641.14	Calculated Property
Pvap	4728.15	kPa	689.00	Calculated Property
Pvap	[19.92; 270.09]	kPa	[387.69; 485.31]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40805e+01
Coefficient B			-3.52170e+03
Coefficient C			-7.01020e+01
Reference			Osborn and Douslin, 1966
Temperature range, min.			387.69
Temperature range, max.			485.31
Pvap	19.92	kPa	387.69	Calculated Property
Pvap	28.73	kPa	398.54	Calculated Property
Pvap	40.47	kPa	409.38	Calculated Property
Pvap	55.82	kPa	420.23	Calculated Property
Pvap	75.52	kPa	431.08	Calculated Property
Pvap	100.39	kPa	441.92	Calculated Property
Pvap	131.30	kPa	452.77	Calculated Property
Pvap	169.22	kPa	463.62	Calculated Property
Pvap	215.13	kPa	474.46	Calculated Property
Pvap	270.09	kPa	485.31	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1109.98; 349.76]	kg/m3	[258.27; 689.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			9.20782e+01
Coefficient B			2.63260e-01
Coefficient C			6.89000e+02
Coefficient D			3.07980e-01
Temperature range, min.			258.27
Temperature range, max.			689.00
ρl	1109.98	kg/m3	258.27	Calculated Property
ρl	1065.24	kg/m3	306.13	Calculated Property
ρl	1018.50	kg/m3	353.99	Calculated Property
ρl	969.25	kg/m3	401.85	Calculated Property
ρl	916.78	kg/m3	449.71	Calculated Property
ρl	859.95	kg/m3	497.56	Calculated Property
ρl	796.79	kg/m3	545.42	Calculated Property
ρl	723.38	kg/m3	593.28	Calculated Property
ρl	629.07	kg/m3	641.14	Calculated Property
ρl	349.76	kg/m3	689.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[258.25; 442.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			7.42426e-02
Coefficient B			-1.20200e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			258.25
Temperature range, max.			442.15
γ	0.04	N/m	258.25	Calculated Property
γ	0.04	N/m	278.68	Calculated Property
γ	0.04	N/m	299.12	Calculated Property
γ	0.04	N/m	319.55	Calculated Property
γ	0.03	N/m	339.98	Calculated Property
γ	0.03	N/m	360.42	Calculated Property
γ	0.03	N/m	380.85	Calculated Property
γ	0.03	N/m	401.28	Calculated Property
γ	0.02	N/m	421.72	Calculated Property
γ	0.02	N/m	442.15	Calculated Property
γ	[0.04; 0.00]	N/m	[258.27; 689.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			7.92700e-02
Coefficient B			1.27200e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			6.89000e+02
Temperature range, min.			258.27
Temperature range, max.			689.00
γ	0.04	N/m	258.27	Calculated Property
γ	0.04	N/m	306.13	Calculated Property
γ	0.03	N/m	353.99	Calculated Property
γ	0.03	N/m	401.85	Calculated Property
γ	0.02	N/m	449.71	Calculated Property
γ	0.02	N/m	497.56	Calculated Property
γ	0.01	N/m	545.42	Calculated Property
γ	0.01	N/m	593.28	Calculated Property
γ	0.00	N/m	641.14	Calculated Property
γ	0.00	N/m	689.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.02; 0.06]	W/m×K	[442.29; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			4.79510e-04
Coefficient B			7.81800e-01
Coefficient C			4.63400e+02
Coefficient D			1.89410e+05
Temperature range, min.			442.29
Temperature range, max.			1000.00
λgas	0.02	W/m×K	442.29	Calculated Property
λgas	0.02	W/m×K	504.26	Calculated Property
λgas	0.03	W/m×K	566.23	Calculated Property
λgas	0.03	W/m×K	628.19	Calculated Property
λgas	0.04	W/m×K	690.16	Calculated Property
λgas	0.04	W/m×K	752.13	Calculated Property
λgas	0.05	W/m×K	814.10	Calculated Property
λgas	0.05	W/m×K	876.06	Calculated Property
λgas	0.06	W/m×K	938.03	Calculated Property
λgas	0.06	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.15; 0.12]	W/m×K	[258.27; 442.29]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K
Coefficient A			2.09960e-01
Coefficient B			-2.14600e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			258.27
Temperature range, max.			442.29
λliquid	0.15	W/m×K	258.27	Calculated Property
λliquid	0.15	W/m×K	278.72	Calculated Property
λliquid	0.15	W/m×K	299.16	Calculated Property
λliquid	0.14	W/m×K	319.61	Calculated Property
λliquid	0.14	W/m×K	340.06	Calculated Property
λliquid	0.13	W/m×K	360.50	Calculated Property
λliquid	0.13	W/m×K	380.95	Calculated Property
λliquid	0.12	W/m×K	401.40	Calculated Property
λliquid	0.12	W/m×K	421.84	Calculated Property
λliquid	0.12	W/m×K	442.29	Calculated Property

Similar Compounds

Find more compounds similar to Benzenethiol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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