Chemical Properties of Cyclohexene, 4-methyl-1-(1-methylethenyl)- (CAS 586-67-4)

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,9H,1,4-5,7H2,2-3H3

InChI Key

AJSJXSBFZDIRIS-UHFFFAOYSA-N

Formula

C10H16

SMILES

C=C(C)C1=CCC(C)CC1

Molecular Weight¹

136.23

CAS

586-67-4

Other Names

• p-Mentha-3,8-diene
• 3,8-p-Menthadiene
• 1-Isopropenyl-4-methyl-cyclohexene
• 4-Methyl-1-(1-methylethenyl)-cyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : 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
ΔfH°gas	35.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.73	kJ/mol	Joback Calculated Property
ΔvapH°	47.91	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.309		Crippen Calculated Property
McVol	132.300	ml/mol	McGowan Calculated Property
Inp	[1060.00; 1092.00]
Inp	1071.00		NIST
Inp	1092.00		NIST
Inp	1092.00		NIST
Inp	1076.00		NIST
Inp	1070.00		NIST
Inp	1073.50		NIST
Inp	1089.00		NIST
Inp	1071.00		NIST
Inp	1073.00		NIST
Inp	1084.00		NIST
Inp	1060.00		NIST
Inp	1073.50		NIST
Inp	1076.00		NIST
Inp	1084.00		NIST
Ip	[1270.00; 1271.00]
Ip	1270.00		NIST
Ip	1271.00		NIST
Ip	1270.00		NIST
Ip	1271.00		NIST
Tboil	458.00 ± 4.00	K	NIST
Tfus	206.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.92; 457.19]	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			-5.24100e+01
Coefficient B			9.40340e-01
Coefficient C			-5.46640e-04
Coefficient D			1.15900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.92	J/mol×K	273.00	Calculated Property
Cp,gas	216.98	J/mol×K	353.78	Calculated Property
Cp,gas	262.50	J/mol×K	434.56	Calculated Property
Cp,gas	302.87	J/mol×K	515.33	Calculated Property
Cp,gas	338.44	J/mol×K	596.11	Calculated Property
Cp,gas	369.58	J/mol×K	676.89	Calculated Property
Cp,gas	396.66	J/mol×K	757.67	Calculated Property
Cp,gas	420.04	J/mol×K	838.44	Calculated Property
Cp,gas	440.10	J/mol×K	919.22	Calculated Property
Cp,gas	457.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 4-methyl-1-(1-methylethenyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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