Chemical Properties of Cyclohexane, 1,4-dimethyl-, cis- (CAS 624-29-3)

InChI

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

InChI Key

QRMPKOFEUHIBNM-OCAPTIKFSA-N

Formula

C8H16

SMILES

CC1CCC(C)CC1

Molecular Weight¹

112.21

CAS

624-29-3

Other Names

• 1,4(cis)-dimethylcyclohexane
• 1,4-Dimethylcyclohexane, cis-
• 1,cis-4-Dimethylcyclohexane
• Cyclohexane, cis-1,4-dimethyl-
• cis-1,4-Dimethylcyclohexane

• 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.
• 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).
• 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	0.2340		KDB
AP	320.050	K	KDB
ΔcH°liquid	-5219.10 ± 1.70	kJ/mol	NIST
ΔfG°	37.97	kJ/mol	KDB
Δc,grossH	5219.12	kJ/mol	KDB
Δc,netH	4867.038	kJ/mol	KDB
ΔfH°gas	-176.80	kJ/mol	KDB
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	[39.00; 3900.00]	kJ/mol
ΔvapH°	39.07	kJ/mol	NIST
ΔvapH°	39.00	kJ/mol	NIST
ΔvapH°	3900.00	kJ/mol	NIST
ΔvapH°	39.00 ± 0.10	kJ/mol	NIST
ΔvapH°	39.02	kJ/mol	NIST
IE	9.93 ± 0.05	eV	NIST
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2900.00	kPa	KDB
Inp	[761.00; 838.20]
Inp	Outlier 838.20		NIST
Inp	823.40		NIST
Inp	828.30		NIST
Inp	Outlier 837.40		NIST
Inp	813.00		NIST
Inp	804.60		NIST
Inp	804.60		NIST
Inp	809.80		NIST
Inp	805.00		NIST
Inp	804.10		NIST
Inp	804.50		NIST
Inp	810.00		NIST
Inp	809.60		NIST
Inp	811.90		NIST
Inp	815.10		NIST
Inp	815.30		NIST
Inp	810.70		NIST
Inp	810.80		NIST
Inp	813.10		NIST
Inp	813.10		NIST
Inp	822.00		NIST
Inp	829.00		NIST
Inp	833.00		NIST
Inp	836.00		NIST
Inp	805.00		NIST
Inp	810.00		NIST
Inp	805.50		NIST
Inp	801.00		NIST
Inp	820.00		NIST
Inp	804.00		NIST
Inp	810.00		NIST
Inp	820.00		NIST
Inp	821.00		NIST
Inp	801.20		NIST
Inp	802.80		NIST
Inp	Outlier 772.45		NIST
Inp	Outlier 770.01		NIST
Inp	804.70		NIST
Inp	805.30		NIST
Inp	805.70		NIST
Inp	802.20		NIST
Inp	804.70		NIST
Inp	805.30		NIST
Inp	805.70		NIST
Inp	800.00		NIST
Inp	800.00		NIST
Inp	806.00		NIST
Inp	795.00		NIST
Inp	804.00		NIST
Inp	805.20		NIST
Inp	807.20		NIST
Inp	810.10		NIST
Inp	812.40		NIST
Inp	814.30		NIST
Inp	816.00		NIST
Inp	Outlier 761.00		NIST
Inp	795.00		NIST
Inp	812.40		NIST
Inp	802.80		NIST
Inp	805.70		NIST
Inp	800.00		NIST
Inp	Outlier 838.20		NIST
Inp	804.60		NIST
Inp	804.50		NIST
Inp	815.30		NIST
Inp	822.00		NIST
Inp	810.00		NIST
S°gas	370.87	J/mol×K	NIST
S°liquid	271.12	J/mol×K	NIST
Tboil	[392.15; 397.80]	K
Tboil	397.60	K	KDB
Tboil	397.70	K	NIST
Tboil	397.50	K	NIST
Tboil	397.80 ± 1.00	K	NIST
Tboil	397.00 ± 2.00	K	NIST
Tboil	397.00 ± 2.00	K	NIST
Tboil	397.70 ± 1.00	K	NIST
Tboil	397.00 ± 2.00	K	NIST
Tboil	397.73 ± 0.30	K	NIST
Tboil	Outlier 392.15 ± 0.30	K	NIST
Tboil	397.65 ± 0.50	K	NIST
Tboil	397.47 ± 0.15	K	NIST
Tboil	397.49 ± 0.30	K	NIST
Tboil	397.49 ± 0.30	K	NIST
Tboil	397.47 ± 0.25	K	NIST
Tboil	397.65 ± 0.30	K	NIST
Tboil	394.00 ± 0.50	K	NIST
Tboil	397.74 ± 0.30	K	NIST
Tboil	394.70 ± 2.00	K	NIST
Tc	598.00	K	KDB
Tfus	[185.42; 186.50]	K
Tfus	185.70	K	KDB
Tfus	186.50 ± 0.50	K	NIST
Tfus	185.72 ± 0.03	K	NIST
Tfus	185.46 ± 0.20	K	NIST
Tfus	185.42 ± 0.02	K	NIST
Tfus	186.45 ± 0.70	K	NIST
Ttriple	[185.72; 195.73]	K
Ttriple	185.73 ± 0.02	K	NIST
Ttriple	185.72 ± 0.05	K	NIST
Ttriple	195.73 ± 0.02	K	NIST
Ttriple	185.73 ± 0.02	K	NIST
Vc	0.471	m3/kmol	KDB
Zc	0.2748890		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[174.40; 213.10]	J/mol×K	[190.00; 300.00]
Cp,liquid	174.40	J/mol×K	190.00	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	176.70	J/mol×K	200.00	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	179.30	J/mol×K	210.00	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	182.10	J/mol×K	220.00	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	185.10	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	188.40	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	191.90	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	195.60	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	199.60	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	200.90	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	203.90	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	208.30	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	212.20	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	212.09	J/mol×K	298.15	NIST
Cp,liquid	213.10	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
ΔfusH	[9.29; 9.31]	kJ/mol	[185.70; 185.73]
ΔfusH	9.29	kJ/mol	185.70	NIST
ΔfusH	9.31	kJ/mol	185.70	NIST
ΔfusH	9.31	kJ/mol	185.73	NIST
ΔfusH	9.31	kJ/mol	185.73	NIST
ΔvapH	[33.28; 37.60]	kJ/mol	[358.50; 397.60]
ΔvapH	37.60	kJ/mol	358.50	NIST
ΔvapH	33.28	kJ/mol	397.50	NIST
ΔvapH	33.77	kJ/mol	397.60	KDB
n0	1.42731		298.15	KDB
ρl	783.00	kg/m3	293.00	KDB
ΔfusS	[50.11; 50.11]	J/mol×K	[185.73; 185.73]
ΔfusS	50.11	J/mol×K	185.73	NIST
ΔfusS	50.11	J/mol×K	185.73	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.34; 423.79]	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			-6.40500e+01
Coefficient B			8.59440e-01
Coefficient C			-4.37000e-04
Coefficient D			6.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.34	J/mol×K	273.00	Calculated Property
Cp,gas	188.20	J/mol×K	353.78	Calculated Property
Cp,gas	232.27	J/mol×K	434.56	Calculated Property
Cp,gas	271.75	J/mol×K	515.33	Calculated Property
Cp,gas	306.84	J/mol×K	596.11	Calculated Property
Cp,gas	337.75	J/mol×K	676.89	Calculated Property
Cp,gas	364.70	J/mol×K	757.67	Calculated Property
Cp,gas	387.88	J/mol×K	838.44	Calculated Property
Cp,gas	407.51	J/mol×K	919.22	Calculated Property
Cp,gas	423.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038844; 0.0002333]	Pa×s	[185.88; 418.60]	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			-1.06096e+01
Coefficient B			9.40300e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			185.88
Temperature range, max.			418.60
η	0.0038844	Pa×s	185.88	Calculated Property
η	0.0020941	Pa×s	211.73	Calculated Property
η	0.0012915	Pa×s	237.59	Calculated Property
η	0.0008758	Pa×s	263.45	Calculated Property
η	0.0006366	Pa×s	289.31	Calculated Property
η	0.0004876	Pa×s	315.17	Calculated Property
η	0.0003889	Pa×s	341.02	Calculated Property
η	0.0003202	Pa×s	366.88	Calculated Property
η	0.0002705	Pa×s	392.74	Calculated Property
η	0.0002333	Pa×s	418.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[285.84; 425.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38911e+01
Coefficient B			-3.23780e+03
Coefficient C			-4.78270e+01
Temperature range, min.			285.84
Temperature range, max.			425.21
Pvap	1.33	kPa	285.84	Calculated Property
Pvap	3.06	kPa	301.33	Calculated Property
Pvap	6.39	kPa	316.81	Calculated Property
Pvap	12.30	kPa	332.30	Calculated Property
Pvap	22.13	kPa	347.78	Calculated Property
Pvap	37.59	kPa	363.27	Calculated Property
Pvap	60.77	kPa	378.75	Calculated Property
Pvap	94.11	kPa	394.24	Calculated Property
Pvap	140.38	kPa	409.72	Calculated Property
Pvap	202.65	kPa	425.21	Calculated Property
Pvap	[7.04e-05; 2941.05]	kPa	[185.72; 598.15]	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			7.15606e+01
Coefficient B			-6.96889e+03
Coefficient C			-8.37542e+00
Coefficient D			4.54960e-06
Coefficient E			0.00000e+00
Temperature range, min.			185.72
Temperature range, max.			598.15
Pvap	7.04e-05	kPa	185.72	Calculated Property
Pvap	0.02	kPa	231.55	Calculated Property
Pvap	0.72	kPa	277.37	Calculated Property
Pvap	7.99	kPa	323.20	Calculated Property
Pvap	44.23	kPa	369.02	Calculated Property
Pvap	157.37	kPa	414.85	Calculated Property
Pvap	417.65	kPa	460.67	Calculated Property
Pvap	907.51	kPa	506.50	Calculated Property
Pvap	1715.72	kPa	552.32	Calculated Property
Pvap	2941.05	kPa	598.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,4-dimethyl-, cis-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• Joback Method
• KDB
• 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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