Chemical Properties of Cyclohexene, 3-methyl-6-(1-methylethenyl)-, (3R-trans)- (CAS 5113-87-1)

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3/t9-,10-/m1/s1

InChI Key

TWCNAXRPQBLSNO-NXEZZACHSA-N

Formula

C10H16

SMILES

C=C(C)C1C=CC(C)CC1

Molecular Weight¹

136.23

CAS

5113-87-1

Other Names

• p-Mentha-2,8-diene, (1R,4R)-(+)-
• (+)-(1R,4R)-trans-Isolimonene
• (+)-trans-Isolimonene
• Isolimonene
• Isolimonene, trans-(+)-
• (+)-3R-trans-Isolimonene
• 3-Isopropenyl-6-methyl-1-cyclohexene-, (3R-trans)-
• E-isolimonene
• 3-Isopropenyl-6-methyl-cyclohexene
• trans-Isolimonene
• (3R-trans)-3-methyl-6-(1-methylvinyl)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.
• 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°	159.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-42.33	kJ/mol	Joback Calculated Property
ΔfusH°	13.19	kJ/mol	Joback Calculated Property
ΔvapH°	37.68	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	3.165		Crippen Calculated Property
McVol	132.300	ml/mol	McGowan Calculated Property
Pc	2704.22	kPa	Joback Calculated Property
Inp	[969.00; 998.00]
Inp	994.00		NIST
Inp	983.00		NIST
Inp	998.00		NIST
Inp	982.00		NIST
Inp	981.00		NIST
Inp	983.00		NIST
Inp	974.00		NIST
Inp	969.00		NIST
Inp	969.00		NIST
Tboil	438.80	K	Joback Calculated Property
Tc	645.73	K	Joback Calculated Property
Tfus	190.64	K	Joback Calculated Property
Vc	0.495	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.35; 365.28]	J/mol×K	[438.80; 645.73]
Cp,gas	268.35	J/mol×K	438.80	Joback Calculated Property
Cp,gas	286.78	J/mol×K	473.29	Joback Calculated Property
Cp,gas	304.27	J/mol×K	507.78	Joback Calculated Property
Cp,gas	320.83	J/mol×K	542.27	Joback Calculated Property
Cp,gas	336.50	J/mol×K	576.76	Joback Calculated Property
Cp,gas	351.31	J/mol×K	611.25	Joback Calculated Property
Cp,gas	365.28	J/mol×K	645.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 3-methyl-6-(1-methylethenyl)-, (3R-trans)-.

Sources

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

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