Chemical Properties of Cyclohexane, 1,2-dimethyl-, cis- (CAS 2207-01-4)

InChI

InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+

InChI Key

KVZJLSYJROEPSQ-OCAPTIKFSA-N

Formula

C8H16

SMILES

CC1CCCCC1C

Molecular Weight¹

112.21

CAS

2207-01-4

Other Names

• 1,2-Dimethylcyclohexane, cis
• 1,2-cis-DimethyIcyclohexane
• 1,2-cis-dimethylcyclohexane
• 1,cis-2-dimethylcyclohexane
• c-1,2-Dimethylcyclohexane
• cis-1,2-dimethylcyclohexane
• cyclohexane, 1,cis-2-dimethyl-

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_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_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• S°_gas : 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).
• 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	0.2360		KDB
AP	314.850	K	KDB
ΔcH°liquid	-5222.00 ± 1.80	kJ/mol	NIST
ΔfG°	41.24	kJ/mol	KDB
Δc,grossH	5222.93	kJ/mol	KDB
Δc,netH	4870.846	kJ/mol	KDB
ΔfH°gas	-172.30	kJ/mol	KDB
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	[39.40; 39.74]	kJ/mol
ΔvapH°	39.74	kJ/mol	NIST
ΔvapH°	39.40	kJ/mol	NIST
ΔvapH°	39.70	kJ/mol	NIST
ΔvapH°	39.70 ± 0.10	kJ/mol	NIST
ΔvapH°	39.71	kJ/mol	NIST
IE	[9.78; 10.08]	eV
IE	9.78 ± 0.05	eV	NIST
IE	9.90 ± 0.07	eV	NIST
IE	10.08 ± 0.02	eV	NIST
log10WS	-4.30		Estimated Solubility
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2940.00	kPa	KDB
Inp	[810.00; 850.00]
Inp	837.60		NIST
Inp	843.90		NIST
Inp	826.60		NIST
Inp	826.80		NIST
Inp	826.90		NIST
Inp	827.10		NIST
Inp	826.70		NIST
Inp	822.20		NIST
Inp	828.80		NIST
Inp	840.00		NIST
Inp	828.40		NIST
Inp	828.40		NIST
Inp	832.40		NIST
Inp	829.00		NIST
Inp	826.60		NIST
Inp	827.10		NIST
Inp	834.00		NIST
Inp	844.00		NIST
Inp	829.10		NIST
Inp	834.70		NIST
Inp	840.20		NIST
Inp	834.10		NIST
Inp	835.10		NIST
Inp	839.10		NIST
Inp	836.20		NIST
Inp	829.00		NIST
Inp	835.00		NIST
Inp	826.00		NIST
Inp	831.00		NIST
Inp	833.00		NIST
Inp	836.00		NIST
Inp	840.00		NIST
Inp	830.00		NIST
Inp	826.00		NIST
Inp	Outlier 850.00		NIST
Inp	831.00		NIST
Inp	836.00		NIST
Inp	Outlier 850.00		NIST
Inp	820.00		NIST
Inp	Outlier 850.00		NIST
Inp	826.60		NIST
Inp	820.00		NIST
Inp	827.20		NIST
Inp	824.70		NIST
Inp	824.40		NIST
Inp	823.10		NIST
Inp	824.70		NIST
Inp	827.30		NIST
Inp	834.90		NIST
Inp	825.00		NIST
Inp	823.10		NIST
Inp	824.70		NIST
Inp	827.30		NIST
Inp	824.70		NIST
Inp	824.40		NIST
Inp	818.20		NIST
Inp	822.00		NIST
Inp	820.00		NIST
Inp	836.00		NIST
Inp	844.00		NIST
Inp	826.00		NIST
Inp	835.00		NIST
Inp	827.00		NIST
Inp	823.00		NIST
Inp	829.00		NIST
Inp	829.90		NIST
Inp	832.50		NIST
Inp	836.30		NIST
Inp	839.10		NIST
Inp	841.50		NIST
Inp	843.50		NIST
Inp	829.00		NIST
Inp	832.00		NIST
Inp	836.00		NIST
Inp	838.00		NIST
Inp	841.00		NIST
Inp	843.00		NIST
Inp	Outlier 810.00		NIST
Inp	829.00		NIST
Inp	828.00		NIST
Inp	836.00		NIST
Inp	836.00		NIST
S°gas	374.34	J/mol×K	NIST
Tboil	[394.00; 403.40]	K
Tboil	402.90	K	KDB
Tboil	402.90	K	NIST
Tboil	402.90	K	NIST
Tboil	403.00 ± 2.00	K	NIST
Tboil	403.00 ± 2.00	K	NIST
Tboil	Outlier 398.00 ± 8.00	K	NIST
Tboil	403.00 ± 2.00	K	NIST
Tboil	402.70 ± 0.30	K	NIST
Tboil	402.88 ± 0.15	K	NIST
Tboil	402.87 ± 0.20	K	NIST
Tboil	Outlier 394.00 ± 8.00	K	NIST
Tboil	402.70 ± 2.00	K	NIST
Tboil	402.70 ± 2.00	K	NIST
Tboil	402.15 ± 0.40	K	NIST
Tboil	402.85 ± 0.50	K	NIST
Tboil	402.99 ± 0.25	K	NIST
Tboil	402.80 ± 0.15	K	NIST
Tboil	402.99 ± 0.30	K	NIST
Tboil	402.99 ± 0.30	K	NIST
Tboil	402.87 ± 0.01	K	NIST
Tboil	403.25 ± 0.30	K	NIST
Tboil	401.15 ± 1.00	K	NIST
Tboil	403.19 ± 0.50	K	NIST
Tboil	403.40 ± 0.50	K	NIST
Tboil	403.19 ± 0.50	K	NIST
Tboil	400.80 ± 3.00	K	NIST
Tboil	403.33 ± 0.20	K	NIST
Tboil	399.70 ± 2.00	K	NIST
Tc	[606.00; 607.29]	K
Tc	607.29	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	606.00	K	KDB
Tc	606.00	K	NIST
Tfus	[213.35; 223.15]	K
Tfus	223.10	K	KDB
Tfus	222.97 ± 0.50	K	NIST
Tfus	223.15 ± 0.07	K	NIST
Tfus	222.97 ± 0.20	K	NIST
Tfus	222.93 ± 0.01	K	NIST
Tfus	Outlier 213.35 ± 0.50	K	NIST
Tfus	222.95 ± 0.30	K	NIST
Ttriple	[223.27; 223.28]	K
Ttriple	223.28 ± 0.01	K	NIST
Ttriple	223.27 ± 0.05	K	NIST
Vc	0.471	m3/kmol	KDB
Zc	0.2750020		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.65; 307.59]	J/mol×K	[397.52; 597.97]
Cp,gas	212.65	J/mol×K	397.52	Joback Calculated Property
Cp,gas	230.39	J/mol×K	430.93	Joback Calculated Property
Cp,gas	247.35	J/mol×K	464.34	Joback Calculated Property
Cp,gas	263.53	J/mol×K	497.74	Joback Calculated Property
Cp,gas	278.96	J/mol×K	531.15	Joback Calculated Property
Cp,gas	293.64	J/mol×K	564.56	Joback Calculated Property
Cp,gas	307.59	J/mol×K	597.97	Joback Calculated Property
Cp,liquid	[182.60; 211.10]	J/mol×K	[230.00; 300.00]
Cp,liquid	182.60	J/mol×K	230.00	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	186.10	J/mol×K	240.00	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	189.90	J/mol×K	250.00	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	193.70	J/mol×K	260.00	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	197.80	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	199.10	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	202.10	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	206.50	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	210.20	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	211.10	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
η	[0.0002628; 0.0041986]	Pa×s	[183.06; 397.52]
η	0.0041986	Pa×s	183.06	Joback Calculated Property
η	0.0018142	Pa×s	218.80	Joback Calculated Property
η	0.0009922	Pa×s	254.55	Joback Calculated Property
η	0.0006296	Pa×s	290.29	Joback Calculated Property
η	0.0004414	Pa×s	326.03	Joback Calculated Property
η	0.0003320	Pa×s	361.78	Joback Calculated Property
η	0.0002628	Pa×s	397.52	Joback Calculated Property
ΔfusH	1.64	kJ/mol	223.30	NIST
ΔvapH	[33.47; 38.00]	kJ/mol	[363.50; 402.90]
ΔvapH	38.00	kJ/mol	363.50	NIST
ΔvapH	35.50 ± 0.10	kJ/mol	370.00	NIST
ΔvapH	34.50 ± 0.10	kJ/mol	387.00	NIST
ΔvapH	33.64	kJ/mol	402.90	KDB
ΔvapH	33.47	kJ/mol	402.90	NIST
n0	1.43358		298.15	KDB
ρl	796.00	kg/m3	293.00	KDB
γ	0.03	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[290.58; 431.66]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37858e+01
Coefficient B			-3.21239e+03
Coefficient C			-5.25890e+01
Temperature range, min.			290.58
Temperature range, max.			431.66
Pvap	1.33	kPa	290.58	Calculated Property
Pvap	3.07	kPa	306.26	Calculated Property
Pvap	6.42	kPa	321.93	Calculated Property
Pvap	12.37	kPa	337.61	Calculated Property
Pvap	22.25	kPa	353.28	Calculated Property
Pvap	37.78	kPa	368.96	Calculated Property
Pvap	61.02	kPa	384.63	Calculated Property
Pvap	94.39	kPa	400.31	Calculated Property
Pvap	140.60	kPa	415.98	Calculated Property
Pvap	202.65	kPa	431.66	Calculated Property
Pvap	[6.40e-03; 2931.71]	kPa	[223.16; 606.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.35050e+01
Coefficient B			-7.12649e+03
Coefficient C			-8.66492e+00
Coefficient D			4.76986e-06
Temperature range, min.			223.16
Temperature range, max.			606.15
Pvap	6.40e-03	kPa	223.16	Calculated Property
Pvap	0.26	kPa	265.71	Calculated Property
Pvap	3.26	kPa	308.27	Calculated Property
Pvap	20.08	kPa	350.82	Calculated Property
Pvap	77.95	kPa	393.38	Calculated Property
Pvap	222.04	kPa	435.93	Calculated Property
Pvap	510.44	kPa	478.49	Calculated Property
Pvap	1008.59	kPa	521.04	Calculated Property
Pvap	1788.12	kPa	563.60	Calculated Property
Pvap	2931.71	kPa	606.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,2-dimethyl-, cis-.

Mixtures

• Cyclohexane, 1,2-dimethyl-, cis- + Cyclohexane, 1,2-dimethyl-, trans- + Water
• Cyclohexane, 1,2-dimethyl-, cis- + Cyclohexane, 1,2-dimethyl-, trans- + 1,2-Ethanediol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Solubilities of Alkylcyclohexanes in Water from 30 C to 180 C
• Apparatus for the Determination of Water Solubility in Hydrocarbon: Toluene and Alkylcyclohexanes (C6 to C8) from 30 C to 180 C
• Liquid Liquid Equilibria at Three Temperatures (between 280.15 K and 333.15 K) of Binary, Ternary, and Quaternary Systems Involving Monoethylene Glycol, Water, Cyclohexane, para-Xylene, trans- and cis-Dimethylcyclohexane, and trans- and cis-Decahydronaphthalene
• Joback Method
• KDB
• 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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