Chemical Properties of Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate (CAS 26460-67-3)

InChI

InChI=1S/C11H16O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h6,9H,1,4-5,7H2,2-3H3

InChI Key

JMMLJZJUVKEVCK-UHFFFAOYSA-N

Formula

C11H16O2

SMILES

C=C(C)C1CC=C(C(=O)OC)CC1

Molecular Weight¹

180.24

CAS

26460-67-3

Other Names

• Methyl perillate

• 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°	-68.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-298.90	kJ/mol	Joback Calculated Property
ΔfusH°	17.11	kJ/mol	Joback Calculated Property
ΔvapH°	50.03	kJ/mol	Joback Calculated Property
log10WS	-2.65		Crippen Calculated Property
logPoct/wat	2.462		Crippen Calculated Property
McVol	153.830	ml/mol	McGowan Calculated Property
Pc	2616.41	kPa	Joback Calculated Property
Inp	[1350.00; 1394.00]
Inp	1350.00		NIST
Inp	1394.00		NIST
Inp	1350.00		NIST
Tboil	547.62	K	Joback Calculated Property
Tc	761.02	K	Joback Calculated Property
Tfus	290.83	K	Joback Calculated Property
Vc	0.577	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.72; 453.26]	J/mol×K	[547.62; 761.02]
Cp,gas	365.72	J/mol×K	547.62	Joback Calculated Property
Cp,gas	382.53	J/mol×K	583.19	Joback Calculated Property
Cp,gas	398.43	J/mol×K	618.75	Joback Calculated Property
Cp,gas	413.43	J/mol×K	654.32	Joback Calculated Property
Cp,gas	427.56	J/mol×K	689.89	Joback Calculated Property
Cp,gas	440.83	J/mol×K	725.45	Joback Calculated Property
Cp,gas	453.26	J/mol×K	761.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate.

Sources

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

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