Chemical Properties of Cyclohexene, 6-ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)-, (S)- (CAS 5951-67-7)

InChI

InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10,12H,1,8-9H2,2-6H3/t15-/m1/s1

InChI Key

QDUJKDRUFBJYSQ-OAHLLOKOSA-N

Formula

C15H24

SMILES

C=CC1(C)CCC(=C(C)C)C=C1C(C)C

Molecular Weight¹

204.35

CAS

5951-67-7

Other Names

• o-Menth-2-ene, 4-isopropylidene-1-vinyl-
• «alpha»-Elemene
• 1-Isopropyl-6-methyl-3-(1-methylethylidene)-6-vinyl-1-cyclohexene-, (S)-
• (S)-6-ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.19	kJ/mol	Joback Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Inp	[1431.00; 1505.00]
Inp	1490.00		NIST
Inp	1490.00		NIST
Inp	1505.00		NIST
Inp	1490.00		NIST
Inp	1469.00		NIST
Inp	Outlier 1431.00		NIST
Inp	Outlier 1431.00		NIST
Inp	1488.00		NIST
Inp	1446.00		NIST
Inp	1477.00		NIST
Inp	1489.00		NIST
Inp	1483.00		NIST
Inp	1487.00		NIST
Inp	1486.00		NIST
Inp	1486.00		NIST
Inp	1486.00		NIST
Inp	1485.00		NIST
Inp	1454.00		NIST
Inp	1486.00		NIST
Inp	1486.00		NIST
Inp	1487.00		NIST
Inp	1469.00		NIST
Inp	1477.00		NIST
Inp	1486.00		NIST
Ip	[1615.00; 1687.00]
Ip	1635.00		NIST
Ip	1687.00		NIST
Ip	1685.00		NIST
Ip	1687.00		NIST
Ip	1615.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[260.06; 689.03]	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			-9.75300e+01
Coefficient B			1.63570e+00
Coefficient C			-1.32294e-03
Coefficient D			4.73800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.06	J/mol×K	273.00	Calculated Property
Cp,gas	336.55	J/mol×K	353.78	Calculated Property
Cp,gas	402.33	J/mol×K	434.56	Calculated Property
Cp,gas	458.91	J/mol×K	515.33	Calculated Property
Cp,gas	507.79	J/mol×K	596.11	Calculated Property
Cp,gas	550.46	J/mol×K	676.89	Calculated Property
Cp,gas	588.42	J/mol×K	757.67	Calculated Property
Cp,gas	623.17	J/mol×K	838.44	Calculated Property
Cp,gas	656.21	J/mol×K	919.22	Calculated Property
Cp,gas	689.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 6-ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)-, (S)-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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