Chemical Properties of Cyclohexane, (1-methylethyl)- (CAS 696-29-7)

InChI

InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChI Key

GWESVXSMPKAFAS-UHFFFAOYSA-N

Formula

C9H18

SMILES

CC(C)C1CCCCC1

Molecular Weight¹

126.24

CAS

696-29-7

Other Names

• (1-methylethyl)cyclohexane
• Cyclohexane, isopropyl-
• Normanthane
• cyclohexane, 1-methylethyl-
• hexahydrocumene
• isopropylcyclohexane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• 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_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.2370; 0.2370]
ω	0.2370		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2370		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2370		KDB
AP	322.050	K	KDB
μ	0.00	debye	KDB
Δc,grossH	5885.22	kJ/mol	KDB
Δc,netH	5488.990	kJ/mol	KDB
ΔfH°gas	-185.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.38	kJ/mol	Joback Calculated Property
ΔvapH°	44.04	kJ/mol	NIST
IE	[9.33; 9.55]	eV
IE	9.33	eV	NIST
IE	9.55 ± 0.03	eV	NIST
logPoct/wat	3.223		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	[2830.00; 2837.19]	kPa
Pc	2837.10	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2837.19	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2830.00	kPa	KDB
Inp	[908.00; 936.00]
Inp	926.00		NIST
Inp	929.00		NIST
Inp	915.00		NIST
Inp	921.20		NIST
Inp	926.10		NIST
Inp	931.00		NIST
Inp	933.00		NIST
Inp	922.00		NIST
Inp	927.00		NIST
Inp	930.00		NIST
Inp	932.00		NIST
Inp	936.00		NIST
Inp	915.00		NIST
Inp	919.00		NIST
Inp	921.00		NIST
Inp	925.00		NIST
Inp	929.00		NIST
Inp	915.00		NIST
Inp	934.00		NIST
Inp	923.00		NIST
Inp	934.00		NIST
Inp	913.00		NIST
Inp	934.00		NIST
Inp	917.30		NIST
Inp	920.00		NIST
Inp	916.90		NIST
Inp	915.00		NIST
Inp	913.00		NIST
Inp	917.00		NIST
Inp	920.00		NIST
Inp	915.00		NIST
Inp	908.00		NIST
Inp	913.00		NIST
Inp	915.00		NIST
Inp	917.00		NIST
Inp	920.00		NIST
Tboil	[419.00; 428.20]	K
Tboil	427.70	K	KDB
Tboil	428.20	K	NIST
Tboil	426.65 ± 1.50	K	NIST
Tboil	427.45 ± 0.50	K	NIST
Tboil	427.71 ± 0.03	K	NIST
Tboil	427.70 ± 0.20	K	NIST
Tboil	427.71 ± 0.20	K	NIST
Tboil	427.72 ± 0.30	K	NIST
Tboil	427.00 ± 4.00	K	NIST
Tboil	427.80 ± 0.50	K	NIST
Tboil	427.15 ± 1.00	K	NIST
Tboil	427.55 ± 0.30	K	NIST
Tboil	427.65 ± 0.30	K	NIST
Tboil	427.65 ± 0.20	K	NIST
Tboil	425.50 ± 2.00	K	NIST
Tboil	427.90 ± 0.50	K	NIST
Tboil	421.65 ± 4.00	K	NIST
Tboil	428.15 ± 6.00	K	NIST
Tboil	Outlier 419.00 ± 6.00	K	NIST
Tboil	421.65 ± 2.00	K	NIST
Tc	[632.20; 640.00]	K
Tc	635.30	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	632.20	K	Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tc	640.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	639.82	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	640.00	K	KDB
Tfus	[182.75; 183.75]	K
Tfus	183.75	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	183.40	K	KDB
Tfus	182.75 ± 0.30	K	NIST
Tfus	183.35 ± 0.30	K	NIST
Tfus	183.35 ± 0.20	K	NIST
Vc	0.470	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[41.10; 44.10]	kJ/mol	[363.00; 386.50]
ΔvapH	44.10	kJ/mol	363.00	NIST
ΔvapH	41.10	kJ/mol	386.50	NIST
n0	1.43861		298.15	KDB
ρl	[762.78; 802.14]	kg/m3	[293.00; 343.15]
ρl	802.00	kg/m3	293.00	KDB
ρl	802.11	kg/m3	293.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	802.14	kg/m3	293.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	798.22	kg/m3	298.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	798.24	kg/m3	298.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	798.22	kg/m3	298.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	794.34	kg/m3	303.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	794.32	kg/m3	303.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	794.32	kg/m3	303.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	790.43	kg/m3	308.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	790.41	kg/m3	308.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	790.41	kg/m3	308.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	786.50	kg/m3	313.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	786.51	kg/m3	313.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	786.50	kg/m3	313.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	782.57	kg/m3	318.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	782.59	kg/m3	318.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	782.57	kg/m3	318.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	778.66	kg/m3	323.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	778.64	kg/m3	323.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	778.63	kg/m3	323.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	774.69	kg/m3	328.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	774.72	kg/m3	328.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	774.69	kg/m3	328.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	770.77	kg/m3	333.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	770.73	kg/m3	333.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	770.73	kg/m3	333.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	766.81	kg/m3	338.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	766.76	kg/m3	338.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	762.78	kg/m3	343.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
ρl	762.84	kg/m3	343.15	Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
ρl	762.78	kg/m3	343.15	Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.97; 469.26]	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			-7.25800e+01
Coefficient B			9.86840e-01
Coefficient C			-5.50000e-04
Coefficient D			1.05000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.97	J/mol×K	273.00	Calculated Property
Cp,gas	212.35	J/mol×K	353.78	Calculated Property
Cp,gas	261.01	J/mol×K	434.56	Calculated Property
Cp,gas	304.28	J/mol×K	515.33	Calculated Property
Cp,gas	342.49	J/mol×K	596.11	Calculated Property
Cp,gas	375.97	J/mol×K	676.89	Calculated Property
Cp,gas	405.05	J/mol×K	757.67	Calculated Property
Cp,gas	430.08	J/mol×K	838.44	Calculated Property
Cp,gas	451.37	J/mol×K	919.22	Calculated Property
Cp,gas	469.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0157104; 0.0002258]	Pa×s	[183.32; 446.22]	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			-1.13538e+01
Coefficient B			1.31997e+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.			183.32
Temperature range, max.			446.22
η	0.0157104	Pa×s	183.32	Calculated Property
η	0.0058396	Pa×s	212.53	Calculated Property
η	0.0027571	Pa×s	241.74	Calculated Property
η	0.0015304	Pa×s	270.95	Calculated Property
η	0.0009526	Pa×s	300.17	Calculated Property
η	0.0006450	Pa×s	329.38	Calculated Property
η	0.0004653	Pa×s	358.59	Calculated Property
η	0.0003526	Pa×s	387.80	Calculated Property
η	0.0002778	Pa×s	417.01	Calculated Property
η	0.0002258	Pa×s	446.22	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[310.51; 454.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44998e+01
Coefficient B			-3.74505e+03
Coefficient C			-4.70030e+01
Temperature range, min.			310.51
Temperature range, max.			454.59
Pvap	1.33	kPa	310.51	Calculated Property
Pvap	3.01	kPa	326.52	Calculated Property
Pvap	6.22	kPa	342.53	Calculated Property
Pvap	11.92	kPa	358.54	Calculated Property
Pvap	21.46	kPa	374.55	Calculated Property
Pvap	36.56	kPa	390.55	Calculated Property
Pvap	59.39	kPa	406.56	Calculated Property
Pvap	92.59	kPa	422.57	Calculated Property
Pvap	139.19	kPa	438.58	Calculated Property
Pvap	202.65	kPa	454.59	Calculated Property
Pvap	[2.99e-06; 2946.23]	kPa	[183.76; 640.00]	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			8.16195e+01
Coefficient B			-8.01121e+03
Coefficient C			-9.76424e+00
Coefficient D			4.82817e-06
Coefficient E			0.00000e+00
Temperature range, min.			183.76
Temperature range, max.			640.00
Pvap	2.99e-06	kPa	183.76	Calculated Property
Pvap	3.81e-03	kPa	234.45	Calculated Property
Pvap	0.28	kPa	285.15	Calculated Property
Pvap	4.55	kPa	335.84	Calculated Property
Pvap	31.42	kPa	386.53	Calculated Property
Pvap	127.58	kPa	437.23	Calculated Property
Pvap	367.86	kPa	487.92	Calculated Property
Pvap	844.82	kPa	538.61	Calculated Property
Pvap	1663.00	kPa	589.31	Calculated Property
Pvap	2946.23	kPa	640.00	Calculated Property
Pvap	[6.41; 104.14]	kPa	[343.66; 428.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38097e+01
Coefficient B			-3.34523e+03
Coefficient C			-6.37590e+01
Reference			Forziati, Norris, et al., 1949
Temperature range, min.			343.66
Temperature range, max.			428.80
Pvap	6.41	kPa	343.66	Calculated Property
Pvap	9.48	kPa	353.12	Calculated Property
Pvap	13.67	kPa	362.58	Calculated Property
Pvap	19.27	kPa	372.04	Calculated Property
Pvap	26.62	kPa	381.50	Calculated Property
Pvap	36.09	kPa	390.96	Calculated Property
Pvap	48.10	kPa	400.42	Calculated Property
Pvap	63.10	kPa	409.88	Calculated Property
Pvap	81.61	kPa	419.34	Calculated Property
Pvap	104.14	kPa	428.80	Calculated Property
Pvap	[6.41; 104.14]	kPa	[343.66; 428.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38097e+01
Coefficient B			-3.34523e+03
Coefficient C			-6.37590e+01
Reference			Forziati, Norris, et al., 1949, 2
Temperature range, min.			343.66
Temperature range, max.			428.80
Pvap	6.41	kPa	343.66	Calculated Property
Pvap	9.48	kPa	353.12	Calculated Property
Pvap	13.67	kPa	362.58	Calculated Property
Pvap	19.27	kPa	372.04	Calculated Property
Pvap	26.62	kPa	381.50	Calculated Property
Pvap	36.09	kPa	390.96	Calculated Property
Pvap	48.10	kPa	400.42	Calculated Property
Pvap	63.10	kPa	409.88	Calculated Property
Pvap	81.61	kPa	419.34	Calculated Property
Pvap	104.14	kPa	428.80	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, (1-methylethyl)-.

Mixtures

• Cyclohexane, (1-methylethyl)- + Naphthalene, 1,2,3,4-tetrahydro-
• Cyclohexane, (1-methylethyl)- + Cyclopropyl carbinol
• Cyclohexane, (1-methylethyl)- + Naphthalene, 1,2,3,4-tetrahydro- + Cyclopropyl carbinol
• Cyclohexane, (1-methylethyl)- + Dodecanoic acid, methyl ester
• Cyclohexane, (1-methylethyl)- + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene
• Cyclohexane, (1-methylethyl)- + Dodecanoic acid, methyl ester + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene

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).
• 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.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Densities and Viscosities for the Ternary System of 1,2,3,4-Tetrahydronaphthalene + Isopropylcyclohexane + Cyclopropanemethanol and Corresponding Binaries at T = (293.15 to 343.15) K
• Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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