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

CC1CCC(C)CC1

Molecular Weight¹

112.21

CAS

2207-04-7

Other Names

• 1,4(trans)-dimethylcyclohexane
• 1,4-Dimethylcyclohexane, trans-
• 1,TRANS-4-DIMETHYLCYCLOHEXANE
• Cyclohexane, trans-1,4-dimethyl-
• TRANS-1,4-DIMETHYLCYCLOHEXANE
• t-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		Estimat...
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
S°gas	365.89	J/mol×K	NIST
S°liquid	268.03	J/mol×K	NIST
Tboil	392.50	K	KDB
Tc	[587.70; 5877.70]	K
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	236.20	K	KDB
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,gas	[212.54; 307.47]	J/mol×K	[397.32; 597.67]
Cp,gas	212.54	J/mol×K	397.32	Joback Calculated Property
Cp,gas	230.28	J/mol×K	430.71	Joback Calculated Property
Cp,gas	247.23	J/mol×K	464.10	Joback Calculated Property
Cp,gas	263.41	J/mol×K	497.49	Joback Calculated Property
Cp,gas	278.84	J/mol×K	530.89	Joback Calculated Property
Cp,gas	293.52	J/mol×K	564.28	Joback Calculated Property
Cp,gas	307.47	J/mol×K	597.67	Joback Calculated Property
Cp,liquid	210.25	J/mol×K	298.15	NIST
η	[0.0002631; 0.0041986]	Pa×s	[183.06; 397.32]
η	0.0041986	Pa×s	183.06	Joback Calculated Property
η	0.0018154	Pa×s	218.77	Joback Calculated Property
η	0.0009932	Pa×s	254.48	Joback Calculated Property
η	0.0006303	Pa×s	290.19	Joback Calculated Property
η	0.0004419	Pa×s	325.90	Joback Calculated Property
η	0.0003324	Pa×s	361.61	Joback Calculated Property
η	0.0002631	Pa×s	397.32	Joback Calculated Property
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
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	J/mol×K	236.22	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[282.89; 420.53]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.42070e+01
Coefficient B			-6.91805e+03
Coefficient C			-8.84557e+00
Coefficient D			5.63363e-06
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
• Joback Method
• KDB
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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