Chemical Properties of Cyclohexane, 1,4-dimethyl-, trans- (CAS 2207-04-7)

InChI

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

InChI Key

QRMPKOFEUHIBNM-ZKCHVHJHSA-N

Formula

C8H16

SMILES

C[C@H]1CC[C@H](C)CC1

Molecular Weight¹

112.22

CAS

2207-04-7

Other Names

• 1,4(trans)-dimethylcyclohexane
• 1,4-Dimethylcyclohexane, trans-
• 1,trans-4-dimethylcyclohexane
• Cyclohexane, trans-1,4-dimethyl-
• t-1,4-Dimethylcyclohexane
• trans-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	0.2420		KDB
AP	325.850	K	KDB
ΔcH°liquid	-5212.30 ± 1.70	kJ/mol	NIST
ΔfG°	31.74	kJ/mol	KDB
Δc,grossH	5212.34	kJ/mol	KDB
Δc,netH	4860.260	kJ/mol	KDB
ΔfH°gas	-184.70	kJ/mol	KDB
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	[37.60; 39.90]	kJ/mol
ΔvapH°	37.95	kJ/mol	NIST
ΔvapH°	37.60	kJ/mol	NIST
ΔvapH°	37.90	kJ/mol	NIST
ΔvapH°	39.90 ± 0.10	kJ/mol	NIST
ΔvapH°	37.87	kJ/mol	NIST
IE	[9.56; 9.92]	eV
IE	9.56	eV	NIST
IE	9.92 ± 0.05	eV	NIST
log10WS	-4.47		Estimated Solubility
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2970.00	kPa	KDB
Inp	[736.00; 816.70]
Inp	Outlier 816.70		NIST
Inp	765.00		NIST
Inp	802.60		NIST
Inp	Outlier 808.00		NIST
Inp	780.00		NIST
Inp	780.20		NIST
Inp	780.30		NIST
Inp	780.50		NIST
Inp	779.90		NIST
Inp	Outlier 816.00		NIST
Inp	774.00		NIST
Inp	779.00		NIST
Inp	784.00		NIST
Inp	788.00		NIST
Inp	784.90		NIST
Inp	786.20		NIST
Inp	790.30		NIST
Inp	774.90		NIST
Inp	777.20		NIST
Inp	779.60		NIST
Inp	782.00		NIST
Inp	785.60		NIST
Inp	772.00		NIST
Inp	774.00		NIST
Inp	776.00		NIST
Inp	779.00		NIST
Inp	781.00		NIST
Inp	784.00		NIST
Inp	780.20		NIST
Inp	780.50		NIST
Inp	785.00		NIST
Inp	777.00		NIST
Inp	777.00		NIST
Inp	777.00		NIST
Inp	784.10		NIST
Inp	791.90		NIST
Inp	790.20		NIST
Inp	790.80		NIST
Inp	800.00		NIST
Inp	783.00		NIST
Inp	786.00		NIST
Inp	788.00		NIST
Inp	791.00		NIST
Inp	794.00		NIST
Inp	785.00		NIST
Inp	783.00		NIST
Inp	796.00		NIST
Inp	781.00		NIST
Inp	789.00		NIST
Inp	796.00		NIST
Inp	772.00		NIST
Inp	800.00		NIST
Inp	774.50		NIST
Inp	778.50		NIST
Inp	772.09		NIST
Inp	770.39		NIST
Inp	775.60		NIST
Inp	776.70		NIST
Inp	777.30		NIST
Inp	785.40		NIST
Inp	776.70		NIST
Inp	775.60		NIST
Inp	776.70		NIST
Inp	777.30		NIST
Inp	774.00		NIST
Inp	772.00		NIST
Inp	790.00		NIST
Inp	779.00		NIST
Inp	774.00		NIST
Inp	779.00		NIST
Inp	774.00		NIST
Inp	773.00		NIST
Inp	784.60		NIST
Inp	786.10		NIST
Inp	788.40		NIST
Inp	790.20		NIST
Inp	791.70		NIST
Inp	793.10		NIST
Inp	Outlier 736.00		NIST
Inp	774.00		NIST
Inp	765.00		NIST
Inp	772.00		NIST
Inp	778.00		NIST
Inp	785.00		NIST
Inp	779.00		NIST
Inp	784.60		NIST
Inp	793.10		NIST
S°gas	365.89	J/mol×K	NIST
S°liquid	268.03	J/mol×K	NIST
Tboil	[392.00; 397.15]	K
Tboil	392.50	K	KDB
Tboil	392.50	K	NIST
Tboil	392.80 ± 0.50	K	NIST
Tboil	392.00 ± 2.00	K	NIST
Tboil	392.70 ± 1.00	K	NIST
Tboil	392.00 ± 2.00	K	NIST
Tboil	393.00 ± 2.00	K	NIST
Tboil	393.00 ± 2.00	K	NIST
Tboil	392.78 ± 0.20	K	NIST
Tboil	392.00 ± 3.00	K	NIST
Tboil	Outlier 397.15 ± 0.50	K	NIST
Tboil	392.48 ± 0.50	K	NIST
Tboil	392.50 ± 0.15	K	NIST
Tboil	392.48 ± 0.30	K	NIST
Tboil	392.80 ± 0.50	K	NIST
Tboil	392.48 ± 0.30	K	NIST
Tboil	392.50 ± 0.02	K	NIST
Tboil	392.50 ± 0.25	K	NIST
Tboil	392.75 ± 0.30	K	NIST
Tboil	392.78 ± 0.30	K	NIST
Tboil	392.70 ± 2.00	K	NIST
Tc	[585.84; 5877.70]	K
Tc	585.84	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	587.70	K	KDB
Tc	5877.70 ± 0.50	K	NIST
Tc	590.00	K	NIST
Tc	587.70 ± 0.58	K	NIST
Tfus	[235.85; 242.21]	K
Tfus	236.20	K	KDB
Tfus	236.21 ± 0.50	K	NIST
Tfus	236.23 ± 0.06	K	NIST
Tfus	Outlier 242.21 ± 0.20	K	NIST
Tfus	236.05 ± 0.02	K	NIST
Tfus	235.85 ± 0.30	K	NIST
Tfus	236.15 ± 2.00	K	NIST
Ttriple	[236.22; 236.22]	K
Ttriple	236.22 ± 0.02	K	NIST
Ttriple	236.22 ± 0.02	K	NIST
Vc	0.450	m3/kmol	KDB
Zc	0.2735120		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[186.60; 211.20]	J/mol×K	[240.00; 300.00]
Cp,liquid	186.60	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	190.10	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	193.80	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	202.00	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	210.30	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	210.25	J/mol×K	298.15	NIST
Cp,liquid	211.20	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	[12.33; 12.34]	kJ/mol	[236.20; 236.22]
ΔfusH	12.34	kJ/mol	236.20	NIST
ΔfusH	12.34	kJ/mol	236.20	NIST
ΔfusH	12.33	kJ/mol	236.22	NIST
ΔfusH	12.33	kJ/mol	236.22	NIST
ΔvapH	[32.56; 36.70]	kJ/mol	[341.00; 392.50]
ΔvapH	35.60 ± 0.10	kJ/mol	341.00	NIST
ΔvapH	36.70	kJ/mol	354.00	NIST
ΔvapH	34.60 ± 0.10	kJ/mol	357.00	NIST
ΔvapH	33.50 ± 0.10	kJ/mol	377.00	NIST
ΔvapH	32.59	kJ/mol	392.50	KDB
ΔvapH	32.56	kJ/mol	392.50	NIST
n0	1.41853		298.15	KDB
ρl	763.00	kg/m3	293.00	KDB
ΔfusS	[52.21; 52.21]	J/mol×K	[236.22; 236.22]
ΔfusS	52.21	J/mol×K	236.22	NIST
ΔfusS	52.21	J/mol×K	236.22	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	[0.0013239; 0.0000558]	Pa×s	[236.12; 1152.05]	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.			236.12
Temperature range, max.			1152.05
η	0.0013239	Pa×s	236.12	Calculated Property
η	0.0003989	Pa×s	337.89	Calculated Property
η	0.0002095	Pa×s	439.66	Calculated Property
η	0.0001401	Pa×s	541.43	Calculated Property
η	0.0001065	Pa×s	643.20	Calculated Property
η	0.0000872	Pa×s	744.97	Calculated Property
η	0.0000749	Pa×s	846.74	Calculated Property
η	0.0000665	Pa×s	948.51	Calculated Property
η	0.0000604	Pa×s	1050.28	Calculated Property
η	0.0000558	Pa×s	1152.05	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[282.89; 420.53]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38145e+01
Coefficient B			-3.15127e+03
Coefficient C			-4.99260e+01
Temperature range, min.			282.89
Temperature range, max.			420.53
Pvap	1.33	kPa	282.89	Calculated Property
Pvap	3.07	kPa	298.18	Calculated Property
Pvap	6.41	kPa	313.48	Calculated Property
Pvap	12.35	kPa	328.77	Calculated Property
Pvap	22.22	kPa	344.06	Calculated Property
Pvap	37.73	kPa	359.36	Calculated Property
Pvap	60.95	kPa	374.65	Calculated Property
Pvap	94.30	kPa	389.94	Calculated Property
Pvap	140.53	kPa	405.24	Calculated Property
Pvap	202.63	kPa	420.53	Calculated Property
Pvap	[0.04; 3006.30]	kPa	[236.21; 590.15]	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			7.42070e+01
Coefficient B			-6.91805e+03
Coefficient C			-8.84557e+00
Coefficient D			5.63363e-06
Coefficient E			0.00000e+00
Temperature range, min.			236.21
Temperature range, max.			590.15
Pvap	0.04	kPa	236.21	Calculated Property
Pvap	0.84	kPa	275.54	Calculated Property
Pvap	6.77	kPa	314.86	Calculated Property
Pvap	31.81	kPa	354.19	Calculated Property
Pvap	104.16	kPa	393.52	Calculated Property
Pvap	266.07	kPa	432.84	Calculated Property
Pvap	570.32	kPa	472.17	Calculated Property
Pvap	1078.11	kPa	511.50	Calculated Property
Pvap	1860.78	kPa	550.82	Calculated Property
Pvap	3006.30	kPa	590.15	Calculated Property

Similar Compounds

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

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
• 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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