Chemical Properties of Cyclohexane, ethylidene-

InChI

InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3

InChI Key

BPBOWYWUOUJKLO-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC=C1CCCCC1

Molecular Weight¹

110.20

Other Names

• Ethylidenecyclohexane

• 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_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5045.40 ± 0.59	kJ/mol	NIST
ΔfH°gas	-59.85	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-103.60 ± 0.75	kJ/mol	NIST
ΔfusH°	7.56	kJ/mol	Joback Calculated Property
ΔvapH°	[42.00; 42.00]	kJ/mol
ΔvapH°	42.00 ± 0.30	kJ/mol	NIST
ΔvapH°	42.00 ± 0.20	kJ/mol	NIST
IE	[8.41; 8.47]	eV
IE	8.41	eV	NIST
IE	8.47 ± 0.02	eV	NIST
logPoct/wat	2.897		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Inp	[859.00; 899.70]
Inp	873.00		NIST
Inp	869.00		NIST
Inp	865.90		NIST
Inp	861.80		NIST
Inp	Outlier 899.70		NIST
Inp	878.00		NIST
Inp	874.00		NIST
Inp	869.00		NIST
Inp	873.00		NIST
Inp	869.00		NIST
Inp	884.00		NIST
Inp	870.00		NIST
Inp	859.00		NIST
Inp	868.00		NIST
Inp	859.00		NIST
Inp	870.00		NIST
Inp	870.00		NIST
Tboil	[409.00; 411.40]	K
Tboil	409.20	K	NIST
Tboil	410.00 ± 0.50	K	NIST
Tboil	410.20 ± 0.20	K	NIST
Tboil	410.32 ± 0.20	K	NIST
Tboil	410.24 ± 0.20	K	NIST
Tboil	410.24 ± 0.20	K	NIST
Tboil	410.22 ± 0.20	K	NIST
Tboil	410.00 ± 1.00	K	NIST
Tboil	409.00 ± 4.00	K	NIST
Tboil	411.40 ± 6.00	K	NIST
Tboil	411.00 ± 5.00	K	NIST
Tboil	411.00 ± 5.00	K	NIST
Tboil	409.00 ± 4.00	K	NIST
Tfus	[179.75; 180.71]	K
Tfus	180.71 ± 0.02	K	NIST
Tfus	180.67 ± 0.05	K	NIST
Tfus	180.71 ± 0.02	K	NIST
Tfus	179.75 ± 0.20	K	NIST
Tfus	180.00 ± 0.50	K	NIST
Tfus	180.47 ± 0.40	K	NIST
Tfus	179.93 ± 0.40	K	NIST
Tfus	180.47 ± 0.10	K	NIST
Tfus	180.49 ± 0.06	K	NIST
Tfus	179.93 ± 0.50	K	NIST
Tfus	180.40 ± 0.30	K	NIST
Tfus	179.93 ± 0.10	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.12; 376.49]	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			-6.48300e+01
Coefficient B			8.34920e-01
Coefficient C			-5.16300e-04
Coefficient D			1.22700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.12	J/mol×K	273.00	Calculated Property
Cp,gas	171.36	J/mol×K	353.78	Calculated Property
Cp,gas	210.56	J/mol×K	434.56	Calculated Property
Cp,gas	245.11	J/mol×K	515.33	Calculated Property
Cp,gas	275.40	J/mol×K	596.11	Calculated Property
Cp,gas	301.81	J/mol×K	676.89	Calculated Property
Cp,gas	324.74	J/mol×K	757.67	Calculated Property
Cp,gas	344.57	J/mol×K	838.44	Calculated Property
Cp,gas	361.69	J/mol×K	919.22	Calculated Property
Cp,gas	376.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0151274; 0.0002033]	Pa×s	[180.29; 436.07]	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			-1.15387e+01
Coefficient B			1.32466e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			180.29
Temperature range, max.			436.07
η	0.0151274	Pa×s	180.29	Calculated Property
η	0.0055622	Pa×s	208.71	Calculated Property
η	0.0025994	Pa×s	237.13	Calculated Property
η	0.0014297	Pa×s	265.55	Calculated Property
η	0.0008826	Pa×s	293.97	Calculated Property
η	0.0005933	Pa×s	322.39	Calculated Property
η	0.0004253	Pa×s	350.81	Calculated Property
η	0.0003205	Pa×s	379.23	Calculated Property
η	0.0002512	Pa×s	407.65	Calculated Property
η	0.0002033	Pa×s	436.07	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, ethylidene-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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