Chemical Properties of Cycloheptane (CAS 291-64-5)

InChI

InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2

InChI Key

DMEGYFMYUHOHGS-UHFFFAOYSA-N

Formula

C7H14

SMILES

C1CCCCCC1

Molecular Weight¹

98.19

CAS

291-64-5

• 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).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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_subH : Enthalpy of sublimation 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_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• 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°_gas : Molar entropy at standard conditions (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_c : Critical Temperature (K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• 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	[0.2370; 0.3359]
ω	0.2384		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3359		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2370		KDB
ΔcH°liquid	[-4598.90; -4586.50]	kJ/mol
ΔcH°liquid	-4597.00 ± 0.80	kJ/mol	NIST
ΔcH°liquid	-4597.60 ± 0.60	kJ/mol	NIST
ΔcH°liquid	-4598.90 ± 1.70	kJ/mol	NIST
ΔcH°liquid	-4586.50	kJ/mol	NIST
ΔfG°	63.05	kJ/mol	KDB
Δc,grossH	4597.80	kJ/mol	KDB
Δc,netH	4289.856	kJ/mol	KDB
ΔfH°gas	-119.40	kJ/mol	KDB
ΔfH°liquid	-156.40 ± 1.70	kJ/mol	NIST
ΔfusH°	2.55	kJ/mol	Joback Calculated Property
ΔvapH°	[37.00; 39.40]	kJ/mol
ΔvapH°	38.50	kJ/mol	NIST
ΔvapH°	38.50 ± 2.10	kJ/mol	NIST
ΔvapH°	38.50 ± 0.20	kJ/mol	NIST
ΔvapH°	39.40	kJ/mol	NIST
ΔvapH°	Outlier 37.00	kJ/mol	NIST
ΔvapH°	38.50 ± 2.10	kJ/mol	NIST
ΔvapH°	38.50 ± 0.20	kJ/mol	NIST
IE	[9.82; 9.97]	eV
IE	9.90 ± 0.10	eV	NIST
IE	9.82 ± 0.05	eV	NIST
IE	9.96	eV	NIST
IE	9.97	eV	NIST
IE	9.88 ± 0.05	eV	NIST
log10WS	[-3.52; -3.51]
log10WS	-3.52		Aq. Solubility Prediction
log10WS	-3.51		Estimated Solubility
logPoct/wat	2.731		Crippen Calculated Property
McVol	98.630	ml/mol	McGowan Calculated Property
Pc	[3723.17; 3826.00]	kPa
Pc	3820.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	3819.95	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	Outlier 3723.17	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	3820.00	kPa	KDB
Pc	3820.00 ± 40.00	kPa	NIST
Pc	3813.00 ± 50.00	kPa	NIST
Pc	3826.00 ± 40.53	kPa	NIST
ρc	277.87 ± 3.93	kg/m3	NIST
Inp	[784.00; 846.00]
Inp	787.00		NIST
Inp	Outlier 837.50		NIST
Inp	Outlier 836.00		NIST
Inp	Outlier 837.00		NIST
Inp	794.20		NIST
Inp	800.00		NIST
Inp	806.90		NIST
Inp	819.00		NIST
Inp	800.00		NIST
Inp	789.00		NIST
Inp	788.00		NIST
Inp	789.00		NIST
Inp	815.00		NIST
Inp	811.60		NIST
Inp	791.00		NIST
Inp	804.00		NIST
Inp	811.00		NIST
Inp	829.00		NIST
Inp	807.00		NIST
Inp	803.00		NIST
Inp	784.00		NIST
Inp	812.00		NIST
Inp	786.00		NIST
Inp	795.00		NIST
Inp	800.00		NIST
Inp	806.00		NIST
Inp	816.00		NIST
Inp	804.00		NIST
Inp	824.00		NIST
Inp	819.00		NIST
Inp	787.00		NIST
Inp	794.00		NIST
Inp	786.00		NIST
Inp	796.00		NIST
Inp	796.00		NIST
Inp	790.00		NIST
Inp	800.00		NIST
Inp	Outlier 846.00		NIST
Inp	803.00		NIST
Inp	797.00		NIST
Inp	807.00		NIST
Inp	800.00		NIST
Inp	800.00		NIST
Inp	786.00		NIST
Inp	Outlier 837.50		NIST
Inp	806.90		NIST
Inp	789.00		NIST
Inp	811.00		NIST
Inp	812.00		NIST
Inp	816.00		NIST
Inp	800.00		NIST
Inp	819.00		NIST
Inp	796.00		NIST
Ip	[878.00; 899.00]
Ip	899.00		NIST
Ip	878.00		NIST
Ip	892.00		NIST
Ip	883.00		NIST
Ip	899.00		NIST
Ip	883.00		NIST
S°gas	342.30 ± 1.30	J/mol×K	NIST
S°liquid	242.55	J/mol×K	NIST
Tboil	[391.25; 393.00]	K
Tboil	391.63	K	KDB
Tboil	391.70	K	NIST
Tboil	Outlier 393.00 ± 2.00	K	NIST
Tboil	391.99 ± 0.20	K	NIST
Tboil	391.99 ± 0.30	K	NIST
Tboil	391.99 ± 0.30	K	NIST
Tboil	391.63 ± 0.30	K	NIST
Tboil	391.25 ± 0.60	K	NIST
Tboil	392.15 ± 2.00	K	NIST
Tc	[589.26; 604.20]	K
Tc	604.20	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	604.20	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	Outlier 589.26	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	604.20	K	KDB
Tc	604.20 ± 0.50	K	NIST
Tc	604.20 ± 0.50	K	NIST
Tfus	[260.95; 265.20]	K
Tfus	265.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	265.12	K	KDB
Tfus	264.69 ± 0.25	K	NIST
Tfus	265.20 ± 2.00	K	NIST
Tfus	265.02 ± 0.06	K	NIST
Tfus	265.02 ± 0.04	K	NIST
Tfus	265.05 ± 0.02	K	NIST
Tfus	Outlier 260.95 ± 0.30	K	NIST
Ttriple	[265.00; 265.12]	K
Ttriple	265.00 ± 0.07	K	NIST
Ttriple	265.12 ± 0.05	K	NIST
Ttriple	265.10 ± 3.00	K	NIST
Ttriple	265.00 ± 0.07	K	NIST
Ttriple	265.12 ± 0.05	K	NIST
Vc	[0.353; 0.354]	m3/kmol
Vc	0.353	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.353	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.353	m3/kmol	KDB
Vc	0.353	m3/kmol	NIST
Vc	0.354 ± 0.007	m3/kmol	NIST
Zc	[0.2680000; 0.2684240]
Zc	0.2680000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2684240		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[170.00; 181.40]	J/mol×K	[270.00; 300.00]
Cp,liquid	170.00	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	171.20	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	173.80	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	177.60	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	180.70	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	180.61	J/mol×K	298.15	NIST
Cp,liquid	180.47	J/mol×K	298.15	NIST
Cp,liquid	180.75	J/mol×K	298.15	NIST
Cp,liquid	181.40	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[0.29; 4.98]	kJ/mol	[134.80; 265.10]
ΔfusH	4.98	kJ/mol	134.80	NIST
ΔfusH	0.29	kJ/mol	198.20	NIST
ΔfusH	0.45	kJ/mol	212.40	NIST
ΔfusH	1.88	kJ/mol	265.10	NIST
ΔfusH	1.88	kJ/mol	265.10	NIST
ΔsubH	53.50	kJ/mol	134.00	NIST
ΔvapH	[31.70; 38.60]	kJ/mol	[307.50; 540.00]
ΔvapH	38.60	kJ/mol	307.50	NIST
ΔvapH	36.40	kJ/mol	365.50	NIST
ΔvapH	36.10	kJ/mol	387.00	NIST
ΔvapH	36.10	kJ/mol	387.00	NIST
ΔvapH	31.70	kJ/mol	540.00	NIST
n0	1.44240		298.15	KDB
ρl	810.00	kg/m3	293.00	KDB
ΔfusS	[1.46; 36.94]	J/mol×K	[134.80; 265.10]
ΔfusS	36.94	J/mol×K	134.80	NIST
ΔfusS	1.46	J/mol×K	198.20	NIST
ΔfusS	2.11	J/mol×K	212.40	NIST
ΔfusS	7.10	J/mol×K	265.10	NIST
γ	0.03	N/m	298.20	KDB
λliquid	[0.11; 0.13]	W/m×K	[262.18; 320.36]
λliquid	0.13	W/m×K	262.18	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	262.37	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.13	W/m×K	262.50	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	280.17	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	280.35	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	280.48	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	297.01	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	297.20	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.12	W/m×K	297.33	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	320.05	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	320.23	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λliquid	0.11	W/m×K	320.36	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.70; 360.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.01400e+01
Coefficient B			8.07800e-01
Coefficient C			-4.47000e-04
Coefficient D			8.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.70	J/mol×K	273.00	Calculated Property
Cp,gas	153.24	J/mol×K	353.78	Calculated Property
Cp,gas	193.05	J/mol×K	434.56	Calculated Property
Cp,gas	228.39	J/mol×K	515.33	Calculated Property
Cp,gas	259.50	J/mol×K	596.11	Calculated Property
Cp,gas	286.66	J/mol×K	676.89	Calculated Property
Cp,gas	310.09	J/mol×K	757.67	Calculated Property
Cp,gas	330.07	J/mol×K	838.44	Calculated Property
Cp,gas	346.84	J/mol×K	919.22	Calculated Property
Cp,gas	360.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017742; 0.0001985]	Pa×s	[265.04; 422.94]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22011e+01
Coefficient B			1.55489e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			265.04
Temperature range, max.			422.94
η	0.0017742	Pa×s	265.04	Calculated Property
η	0.0012326	Pa×s	282.58	Calculated Property
η	0.0008936	Pa×s	300.13	Calculated Property
η	0.0006712	Pa×s	317.67	Calculated Property
η	0.0005195	Pa×s	335.22	Calculated Property
η	0.0004125	Pa×s	352.76	Calculated Property
η	0.0003347	Pa×s	370.31	Calculated Property
η	0.0002768	Pa×s	387.85	Calculated Property
η	0.0002327	Pa×s	405.40	Calculated Property
η	0.0001985	Pa×s	422.94	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.39; 202.67]	kPa	[265.12; 418.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41291e+01
Coefficient B			-3.26491e+03
Coefficient C			-4.86550e+01
Temperature range, min.			265.12
Temperature range, max.			418.93
Pvap	0.39	kPa	265.12	Calculated Property
Pvap	1.16	kPa	282.21	Calculated Property
Pvap	3.01	kPa	299.30	Calculated Property
Pvap	6.92	kPa	316.39	Calculated Property
Pvap	14.39	kPa	333.48	Calculated Property
Pvap	27.53	kPa	350.57	Calculated Property
Pvap	49.13	kPa	367.66	Calculated Property
Pvap	82.67	kPa	384.75	Calculated Property
Pvap	132.28	kPa	401.84	Calculated Property
Pvap	202.67	kPa	418.93	Calculated Property
Pvap	[0.39; 3831.50]	kPa	[265.12; 604.30]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.37466e+01
Coefficient B			-7.38221e+03
Coefficient C			-1.02752e+01
Coefficient D			6.91167e-06
Coefficient E			0.00000e+00
Temperature range, min.			265.12
Temperature range, max.			604.30
Pvap	0.39	kPa	265.12	Calculated Property
Pvap	3.66	kPa	302.81	Calculated Property
Pvap	19.26	kPa	340.49	Calculated Property
Pvap	68.53	kPa	378.18	Calculated Property
Pvap	186.24	kPa	415.87	Calculated Property
Pvap	418.69	kPa	453.55	Calculated Property
Pvap	822.00	kPa	491.24	Calculated Property
Pvap	1463.67	kPa	528.93	Calculated Property
Pvap	2428.81	kPa	566.61	Calculated Property
Pvap	3831.50	kPa	604.30	Calculated Property
Pvap	[19.88; 270.07]	kPa	[341.30; 432.17]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37628e+01
Coefficient B			-3.06336e+03
Coefficient C			-5.69460e+01
Reference			Finke, Scott, et al., 1956
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			341.30
Temperature range, max.			432.17
Pvap	19.88	kPa	341.30	Calculated Property
Pvap	28.76	kPa	351.40	Calculated Property
Pvap	40.61	kPa	361.49	Calculated Property
Pvap	56.08	kPa	371.59	Calculated Property
Pvap	75.91	kPa	381.69	Calculated Property
Pvap	100.88	kPa	391.78	Calculated Property
Pvap	131.86	kPa	401.88	Calculated Property
Pvap	169.75	kPa	411.98	Calculated Property
Pvap	215.49	kPa	422.07	Calculated Property
Pvap	270.07	kPa	432.17	Calculated Property
Pvap	[19.88; 270.07]	kPa	[341.30; 432.17]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37628e+01
Coefficient B			-3.06336e+03
Coefficient C			-5.69460e+01
Reference			Finke, Scott, et al., 1956, 3
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			341.30
Temperature range, max.			432.17
Pvap	19.88	kPa	341.30	Calculated Property
Pvap	28.76	kPa	351.40	Calculated Property
Pvap	40.61	kPa	361.49	Calculated Property
Pvap	56.08	kPa	371.59	Calculated Property
Pvap	75.91	kPa	381.69	Calculated Property
Pvap	100.88	kPa	391.78	Calculated Property
Pvap	131.86	kPa	401.88	Calculated Property
Pvap	169.75	kPa	411.98	Calculated Property
Pvap	215.49	kPa	422.07	Calculated Property
Pvap	270.07	kPa	432.17	Calculated Property

Similar Compounds

Find more compounds similar to Cycloheptane.

Mixtures

• Cycloheptane + N-Formylmorpholine
• 2-Pyrrolidinone, 1-methyl- + Cycloheptane
• Cycloheptane + TETRAMETHYLAMMONIUM CHLORIDE + Glycerin
• Furfural + Cycloheptane
• 2-Furanmethanol + Cycloheptane
• Cycloheptane + Ethanol, 2,2'-oxybis-
• Cycloheptane + Triethylene glycol
• Cyclopentane + Cycloheptane
• Cyclopentane + Hexadecane + Cycloheptane
• Cycloheptane + N^1,n^3 dibutylimidazolidine 2-thione

Sources

• KDB Vapor Pressure Data
• 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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 ChEDL chemicals 1.5.2, from Daubert, T. E. Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes. J. Chem. Eng. Data 1996, 41, 365-372.
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• 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.
• Crippen Method
• Determination of activity coefficients at infinite dilution of organic solutes in the ionic liquid, trihexyl(tetradecyl)-phosphonium tris(pentafluoroethyl) trifluorophosphate, by gas liquid chromatography
• Determination of activity coefficients at infinite dilution of organic solutes in the ionic liquid, tributylmethylphosphonium methylsulphate by gas liquid chromatography
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• Activity coefficients at infinite dilution measurements for organic solutes in the ionic liquid N-butyl-4-methylpyridinium tosylate using GLC at T = (328.15, 333.15, 338.15, and 343.15)K
• Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate using GLC
• Activity coefficients at infinite dilution measurements for organic solutes and water in the 1-hexyloxymethyl-3-methyl-imidazolium and 1,3-dihexyloxymethyl-imidazolium bis(trifluoromethylsulfonyl)-imide ionic liquids The cation influence
• Miscibility behavior of trihexyl(tetradecyl)phosphonium tetrafluoroborate with cyclic hydrocarbons
• Experimental and theoretical study of interaction between organic compounds and 1- (4-sulfobutyl)-3-methylimidazolium based ionic liquids
• Study of interaction between organic compounds and mono or dicationic oxygenated ionic liquids using gas chromatography
• Activity coefficients at infinite dilution of organic solvents and water in 1-butyl-3-methylimidazolium dicyanamide. A literature review of hexane/hex-1-ene separation
• High selective water/butan-1-ol separation on investigation of limiting activity coefficients with [P8,8,8,8][[NTf2] ionic liquid
• Separation of binary mixtures based on limiting activity coefficients data using specific ammonium-based ionic liquid and modelling of thermodynamic functions
• Tetramethylammonium chloride + glycerol deep eutectic solvent as separation agent for organic liquid mixtures: Assessment from experimental limiting activity coefficients
• New ionic liquid [P4,4,4,4][NTf2] in bio-butanol extraction on investigation of limiting activity coefficients
• Ammonium ionic liquids in extraction of bio-butan-1-ol from water phase using activity coefficients at infinite dilution
• Measurements of activity coefficients at infinite dilution for organic solutes in two quaternary ammonium-based ionic liquids [DDA][ClO4] and [DDA][BF4]
• The determination of activity coefficients at infinite dilution using g.l.c. for hydrocarbons in furfural at T = 278:15 K and T = 298:15 K
• Activity coefficients at infinite dilution for hydrocarbons in furfuryl alcohol at T=(278.15 and 298.15) K, determined by g.l.c.
• Activity coefficients at infinite dilution measurements for organic solutes in the ionic liquid 1-butyl-3-methyl-imidazolium 2-(2-methoxyethoxy) ethyl sulfate using g.l.c. at T = (298.15, 303.15, and 308.15) K
• Activity coefficients at infinite dilution measurements for organic solutes in the ionic liquid hexyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)-imide using g.l.c. at T = (298.15, 313.15, and 333.15) K
• Measurement of activity coefficients at infinite dilution using polar and non-polar solutes in the ionic liquid 1-methyl-3-octyl-imidazolium diethyleneglycolmonomethylethersulfate at T = (288.15, 298.15, and 313.15) K
• Measurements of activity coefficients at infinite dilution of aromatic and aliphatic hydrocarbons, alcohols, and water in the new ionic liquid [EMIM][SCN] using GLC
• Activity coefficients at infinite dilution measurements for organic solutes in the ionic liquid trihexyltetradecylphosphonium-bis-(2,4,4-trimethylpentyl)- phosphinate using g.l.c. at T = (303.15, 308.15, 313.15, and 318.15) K
• Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid triethylsulphonium bis(trifluoromethylsulfonyl)imide
• Measurements of activity coefficients at infinite dilution of aliphatic and aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, MTBE, and water in ionic liquid [BMIM][SCN] using GLC
• Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 4-methyl-N-butyl-pyridinium bis(trifluoromethylsulfonyl)-imide
• Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium trifluoromethanesulfonate using gas liquid chromatography at T = (313.15, 323.15, and 333.15) K
• Activity coefficients at infinite dilution for solutes in the trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid using gas liquid chromatography
• Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate using gas liquid chromatography at T = (313.15, 323.15, and 333.15) K
• Gas liquid chromatography measurements of activity coefficients at infinite dilution of various organic solutes and water in tri-iso-butylmethylphosphonium tosylate ionic liquid
• Measurements of activity coefficients at infinite dilution of organic solutes and water in 1-propyl-1-methylpiperidinium bis{(trifluoromethyl)sulfonyl}imide ionic liquid using g.l.c.
• Measurements of activity coefficients at infinite dilution of organic compounds and water in isoquinolinium-based ionic liquid [C8iQuin][NTf2] using GLC
• Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyl(tetradecyl)phosphonium tetrafluoroborate using gas liquid chromatography at T = (313.15, 333.15, 353.15, and 373.15) K
• Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-butyl-3-methylimidazolium hexafluoroantimonate using gas liquid chromatography at T = (313.15, 323.15, and 333.15) K
• Activity coefficients at infinite dilution of organic solutes in the ionic liquid, methyl(trioctyl)ammonium thiosalicylate, [N1888][TS] by gas liquid chromatography at T = (303.15, 313.15, and 323.15) K
• Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(3-hydroxypropyl)pyridinium bis(trifluoromethylsulfonyl)-amide
• Thermodynamics and activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tetracyanoborate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate
• Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyltetradecylphosphonium hexafluorophosphate using gas liquid chromatography at T = (313.15, 333.15, 353.15, and 363.15) K
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate
• Experimental and theoretical study on infinite dilution activity coefficients of various solutes in piperidinium ionic liquids
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate
• Measurements of activity coefficients at infinite dilution for organic solutes and water in N-hexylisoquinolinium thiocyanate, [HiQuin][SCN] using GLC
• Activity coefficients at infinite dilution of organic solutes in N-formylmorpholine and N-methylpyrrolidone from gas-liquid chromatography
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)- 3-methylimidazolium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution of organic solutes in diethylene glycol and triethylene glycol from gas-liquid chromatography
• Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide using gas-liquid chromatography at T = (313.15, 333.15, 353.15 and 373.15) K
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide
• Thermodynamics and activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylmorpholinium tricyanomethanide
• The study of activity coefficients at infinite dilution for organic solutes and water in 1-butyl-4-methylpyridinium dicyanamide, [B4MPy][DCA] using GLC
• Measurement of activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium 2-(2-methoxyethoxy) ethylsulfate at T = (308.15, 313.15, 323.15 and 333.15) K using gas + liquid chromatography
• Measurement of activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-hexyl-1,4-diaza[2.2.2]bicyclooctanium bis(trifluoromethylsulfonyl)imide using gas-liquid chromatography
• Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide
• Experimental and theoretically study of interaction between organic compounds and tricyanomethanide based ionic liquids
• Activity coefficients at infinite dilution of organic solutes in methylphosphonate based ionic liquids using gas-liquid chromatography
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(3-hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution for organic solutes and water in 1-ethyl-1-methylpyrrolidinium lactate
• Activity coefficients at infinite dilution, physicochemical and thermodynamic properties for organic solutes and water in the ionic liquid ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris-(perfluoroethyl)phosphate
• A 1-alkylcyanopyridinium-based ionic liquid in the separation processes
• Thermodynamics and selectivity of separation based on activity coefficients at infinite dilution of various solutes in 1-allyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide ionic liquid
• Separation of aliphatic from aromatic hydrocarbons and sulphur compounds from fuel based on measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid N,N-diethyl-N-methyl-N-(2-methoxy-ethyl)ammonium bis(trifluoromethylsulfonyl)imide
• Thermodynamics and limiting activity coefficients measurements for organic solutes and water in the ionic liquid 1-dodecyl-3-methylimidzolium bis(trifluoromethylsulfonyl) imide
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on limiting activity coefficients
• Separation of water/butan-1-ol based on activity coefficients at infinite dilution in 1,3-didecyl-2-methylimidazolium dicyanamide ionic liquid
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on gamma infinity data measurements
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid trihexyl-tetradecyl-phosphonium tricyanomethanide
• Thermodynamic study of molecular interaction-selectivity in separation processes based on limiting activity coefficients
• The use of ionic liquids for separation of binary hydrocarbons mixtures based on gamma infinity data measurements
• Excess Molar Volumes for Three and Four Component Mixtures Simulating the Binary Mixture (Cyclohexane+ Hexadecane)
• Activity Coefficients at Infinite Dilution of Organic Solutes and Water in Tributylethylphosphonium Diethylphosphate Using Gas Liquid Chromatography: Thermodynamic Properties of Mixtures Containing Ionic Liquids
• Activity Coefficients at Infinite Dilution of Various Solutes in Tetrapropylammonium Bromide + 1,6-Hexanediol Deep Eutectic Solvent
• Activity Coefficients at Infinite Dilution of Organic Solutes in 1-Hexyl-3-methylimidazolium Hexafluorophosphate from Gas-Liquid Chromatography
• Determination of Activity Coefficients at Infinite Dilution of Solutes in the Ionic Liquid 1-Hexyl-3-methylimidazolium Tetrafluoroborate Using Gas-Liquid Chromatography at the Temperatures 298.15 K and 323.15 K
• Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
• Determination of Activity Coefficients at Infinite Dilution of Polar and Nonpolar Solutes in the Ionic Liquid 1-Ethyl-3-methyl- imidazolium Bis(trifluoromethylsulfonyl) Imidate Using Gas-Liquid Chromatography at the Temperature 303.15 K or 318.15 K
• Determination of Activity Coefficients at Infinite Dilution of Solutes in the Ionic Liquid 1-Butyl-3-methylimidazolium Octyl Sulfate Using Gas-Liquid Chromatography at a Temperature of 298.15 K, 313.15 K, or 328.15 K
• Infinite Dilution Activity Coefficients for Trihexyltetradecyl Phosphonium Ionic Liquids: Measurements and COSMO-RS Prediction
• Activity Coefficients at Infinite Dilution Measurements for Organic Solutes and Water in the Ionic Liquid 1-Butyl-3-methyl-pyridinium Trifluoromethanesulfonate
• Determination of Activity Coefficients at Infinite Dilution of 35 Solutes in the Ionic Liquid, 1-Butyl-3-methylimidazolium Tosylate, Using Gas-Liquid Chromatography
• Measurements of Activity Coefficients at Infinite Dilution for Organic Solutes and Water in the Ionic Liquid 1-Butyl-1-methylpiperydinium Thiocyanate
• Activity Coefficients at Infinite Dilution of Organic Compounds in Four New Imidazolium-Based Ionic Liquids
• Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography
• Evaluation of the Performance of Trigeminal Tricationic Ionic Liquids for Separation Problems
• Activity Coefficients at Infinite Dilution for Organic Compounds Dissolved in 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Having Six-, Eight-, and Ten-Carbon Alkyl Chains
• Activity Coefficients at Infinite Dilution for Organic Solutes Dissolved in Three 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Bearing Short Linear Alkyl Side Chains of Three to Five Carbons
• Determination of Activity Coefficients at Infinite Dilution of Solutes in the Ionic Liquid, Trihexyltetradecylphosphonium Bis(trifluoromethylsulfonyl) Imide, Using Gas-Liquid Chromatography at T ) (303.15, 308.15, 313.15, and 318.15) K
• Activity Coefficients at Infinite Dilution of Organic Compounds in 1-Butyl-3-methylimidazolium Tetrafluoroborate Using Inverse Gas Chromatography
• Activity Coefficients at Infinite Dilution of Organic Compounds in Trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide Using Inverse Gas Chromatography
• Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography
• Phase Equilibria of (1-Hexyl-3-methylimidazolium Thiocyanate + Water, Alcohol, or Hydrocarbon) Binary Systems
• Study of Ether-, Alcohol-, or Cyano-Functionalized Ionic Liquids Using Inverse Gas Chromatography
• Activity Coefficients at Infinite Dilution Measurements for Organic Solutes and Water in the Ionic Liquid 1-Hexyl-3-methylimidazolium Thiocyanate
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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