Chemical Properties of 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propanoate (CAS 97-45-0)

InChI

InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3

InChI Key

DFVXNZOMAOGTBL-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

C=C(C)C1CC=C(C)C(OC(=O)CC)C1

Molecular Weight¹

208.30

CAS

97-45-0

Other Names

• p-Mentha-6,8-dien-2-ol, propionate
• Carveol propionate
• Carvyl propionate
• l-Carvyl propionate
• 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propionate
• l-p-Mentha-6,8(9)-dien-2-yl propionate
• p-mentha-1(6),8-dien-2-yl propionate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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_boilr : Boiling point at reduced pressure (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
ω	0.4360		Relay (1.0) Calculated Property
ΔfG°	-58.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-389.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.36	kJ/mol	Joback Calculated Property
ΔvapH°	67.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-3.10		Relay (1.0) Calculated Property
logPoct/wat	3.241		Crippen Calculated Property
McVol	182.010	ml/mol	McGowan Calculated Property
Pc	2104.20	kPa	Joback Calculated Property
Inp	[1440.00; 1441.00]
Inp	1441.00		NIST
Inp	1440.00		NIST
Inp	1440.00		NIST
Inp	1440.00		NIST
Inp	1441.00		NIST
I	[1833.00; 1833.00]
I	1833.00		NIST
I	1833.00		NIST
I	1833.00		NIST
Tboil	518.75	K	Relay (1.0) Calculated Property
Tc	708.75	K	Relay (1.0) Calculated Property
Tfus	230.67	K	Relay (1.0) Calculated Property
Vc	0.628	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[466.04; 562.62]	J/mol×K	[588.71; 795.23]
Cp,gas	466.04	J/mol×K	588.71	Joback Calculated Property
Cp,gas	484.54	J/mol×K	623.13	Joback Calculated Property
Cp,gas	502.05	J/mol×K	657.55	Joback Calculated Property
Cp,gas	518.61	J/mol×K	691.97	Joback Calculated Property
Cp,gas	534.21	J/mol×K	726.39	Joback Calculated Property
Cp,gas	548.87	J/mol×K	760.81	Joback Calculated Property
Cp,gas	562.62	J/mol×K	795.23	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, propanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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