Chemical Properties of Cyclohexane, 1,3-dimethyl-, trans- (CAS 2207-03-6)

InChI

InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1

InChI Key

SGVUHPSBDNVHKL-YUMQZZPRSA-N

Formula

C8H16

SMILES

CC1CCCC(C)C1

Molecular Weight¹

112.21

CAS

2207-03-6

Other Names

• 1,3(trans)-dimethylcyclohexane
• 1,3-Dimethyl(trans)-cyclohexane
• 1,3-Dimethylcyclohexane, trans
• 1,TRANS-3-DIMETHYLCYCLOHEXANE
• Cyclohexane, trans-1,3-dimethyl-
• TRANS-1,3-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.
• I : 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	0.1890		KDB
AP	319.450	K	KDB
ΔcH°liquid	-5219.00 ± 1.70	kJ/mol	NIST
ΔfG°	36.34	kJ/mol	KDB
Δc,grossH	5219.04	kJ/mol	KDB
Δc,netH	4866.954	kJ/mol	KDB
ΔfH°gas	-176.70	kJ/mol	KDB
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	[39.10; 39.21]	kJ/mol
ΔvapH°	39.21	kJ/mol	NIST
ΔvapH°	39.10	kJ/mol	NIST
ΔvapH°	39.20	kJ/mol	NIST
ΔvapH°	39.20 ± 0.10	kJ/mol	NIST
ΔvapH°	39.19	kJ/mol	NIST
IE	[9.52; 9.89]	eV
IE	9.53	eV	NIST
IE	9.52 ± 0.05	eV	NIST
IE	9.53	eV	NIST
IE	9.89 ± 0.05	eV	NIST
log10WS	-2.58		Crippen Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2970.00	kPa	KDB
Inp	[783.00; 836.00]
Inp	802.60		NIST
Inp	810.80		NIST
Inp	803.90		NIST
Inp	804.10		NIST
Inp	804.20		NIST
Inp	804.30		NIST
Inp	804.10		NIST
Inp	805.60		NIST
Inp	810.80		NIST
Inp	813.00		NIST
Inp	804.90		NIST
Inp	804.60		NIST
Inp	809.80		NIST
Inp	805.40		NIST
Inp	803.90		NIST
Inp	804.30		NIST
Inp	Outlier 783.00		NIST
Inp	805.30		NIST
Inp	810.50		NIST
Inp	813.10		NIST
Inp	813.10		NIST
Inp	822.00		NIST
Inp	Outlier 829.00		NIST
Inp	Outlier 833.00		NIST
Inp	Outlier 836.00		NIST
Inp	806.00		NIST
Inp	811.00		NIST
Inp	802.00		NIST
Inp	807.00		NIST
Inp	808.00		NIST
Inp	811.00		NIST
Inp	814.00		NIST
Inp	805.50		NIST
Inp	802.00		NIST
Inp	823.00		NIST
Inp	806.00		NIST
Inp	810.00		NIST
Inp	798.00		NIST
Inp	808.84		NIST
Inp	823.00		NIST
Inp	798.70		NIST
Inp	798.00		NIST
Inp	802.80		NIST
Inp	804.10		NIST
Inp	805.30		NIST
Inp	806.20		NIST
Inp	802.20		NIST
Inp	804.10		NIST
Inp	805.30		NIST
Inp	806.20		NIST
Inp	800.00		NIST
Inp	806.00		NIST
Inp	806.00		NIST
Inp	805.60		NIST
Inp	807.60		NIST
Inp	810.60		NIST
Inp	813.00		NIST
Inp	814.90		NIST
Inp	816.60		NIST
Inp	806.00		NIST
Inp	799.00		NIST
Inp	Outlier 783.00		NIST
I	843.00		NIST
S°gas	376.39	J/mol×K	NIST
S°liquid	276.27	J/mol×K	NIST
Tboil	397.60	K	KDB
Tc	598.00	K	KDB
Tfus	[179.76; 406.83]	K
Tfus	183.00	K	KDB
Tfus	406.83 ± 0.06	K	NIST
Tfus	179.76 ± 0.02	K	NIST
Tfus	196.45 ± 0.50	K	NIST
Ttriple	[183.03; 183.06]	K
Ttriple	183.06 ± 0.02	K	NIST
Ttriple	183.03 ± 0.05	K	NIST
Ttriple	183.06 ± 0.02	K	NIST
Vc	0.415	m3/kmol	KDB
Zc	0.2481930		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	212.84	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	[9.87; 9.87]	kJ/mol	[183.06; 183.10]
ΔfusH	9.87	kJ/mol	183.06	NIST
ΔfusH	9.87	kJ/mol	183.10	NIST
ΔfusH	9.87	kJ/mol	183.10	NIST
ΔvapH	[33.39; 37.90]	kJ/mol	[354.00; 397.60]
ΔvapH	37.40	kJ/mol	354.00	NIST
ΔvapH	37.90	kJ/mol	357.00	NIST
ΔvapH	33.85	kJ/mol	397.60	KDB
ΔvapH	33.39	kJ/mol	397.60	NIST
n0	1.42843		298.15	KDB
ρl	785.00	kg/m3	293.00	KDB
ΔfusS	53.89	J/mol×K	183.06	NIST
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[286.07; 423.77]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39936e+01
Coefficient B			-3.26162e+03
Coefficient C			-4.81030e+01
Temperature range, min.			286.07
Temperature range, max.			423.77
Pvap	1.33	kPa	286.07	Calculated Property
Pvap	3.05	kPa	301.37	Calculated Property
Pvap	6.35	kPa	316.67	Calculated Property
Pvap	12.23	kPa	331.97	Calculated Property
Pvap	22.00	kPa	347.27	Calculated Property
Pvap	37.40	kPa	362.57	Calculated Property
Pvap	60.52	kPa	377.87	Calculated Property
Pvap	93.83	kPa	393.17	Calculated Property
Pvap	140.16	kPa	408.47	Calculated Property
Pvap	202.63	kPa	423.77	Calculated Property
Pvap	[4.22e-05; 2937.30]	kPa	[183.05; 598.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.23828e+01
Coefficient B			-7.02468e+03
Coefficient C			-8.49035e+00
Coefficient D			4.56712e-06
Temperature range, min.			183.05
Temperature range, max.			598.00
Pvap	4.22e-05	kPa	183.05	Calculated Property
Pvap	0.02	kPa	229.16	Calculated Property
Pvap	0.61	kPa	275.26	Calculated Property
Pvap	7.28	kPa	321.37	Calculated Property
Pvap	41.84	kPa	367.47	Calculated Property
Pvap	152.29	kPa	413.58	Calculated Property
Pvap	409.90	kPa	459.68	Calculated Property
Pvap	898.46	kPa	505.79	Calculated Property
Pvap	1707.84	kPa	551.89	Calculated Property
Pvap	2937.30	kPa	598.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,3-dimethyl-, trans-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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