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

InChI Key

QDUJKDRUFBJYSQ-UHFFFAOYSA-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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	237.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-50.67	kJ/mol	Joback Calculated Property
ΔfusH°	15.19	kJ/mol	Joback Calculated Property
ΔvapH°	49.03	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	1885.44	kPa	Joback 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
I	[1615.00; 1687.00]
I	1635.00		NIST
I	1687.00		NIST
I	1685.00		NIST
I	1687.00		NIST
I	1615.00		NIST
Tboil	569.29	K	Joback Calculated Property
Tc	782.44	K	Joback Calculated Property
Tfus	283.01	K	Joback Calculated Property
Vc	0.751	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.32; 599.35]	J/mol×K	[569.29; 782.44]
Cp,gas	492.32	J/mol×K	569.29	Joback Calculated Property
Cp,gas	512.66	J/mol×K	604.81	Joback Calculated Property
Cp,gas	531.82	J/mol×K	640.34	Joback Calculated Property
Cp,gas	549.95	J/mol×K	675.86	Joback Calculated Property
Cp,gas	567.16	J/mol×K	711.39	Joback Calculated Property
Cp,gas	583.58	J/mol×K	746.91	Joback Calculated Property
Cp,gas	599.35	J/mol×K	782.44	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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