Chemical Properties of Carvenone (CAS 499-74-1)

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8H,4-5H2,1-3H3

InChI Key

RLYSXAZAJUMULG-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC(C)C1=CC(=O)C(C)CC1

Molecular Weight¹

152.23

CAS

499-74-1

Other Names

• 2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)-
• p-Menth-3-en-2-one
• p-3-menthen-2-one (carvenone)
• 3-(isopropyl)-6-methylcyclohex-2-en-1-one

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ΔcH°liquid	-5895.70	kJ/mol	NIST
ΔfG°	-46.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.08	kJ/mol	Joback Calculated Property
ΔfusH°	10.31	kJ/mol	Joback Calculated Property
ΔvapH°	43.10	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	2.568		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	2744.03	kPa	Joback Calculated Property
Inp	[1208.00; 1277.00]
Inp	1236.00		NIST
Inp	1236.20		NIST
Inp	1253.00		NIST
Inp	1252.00		NIST
Inp	1252.00		NIST
Inp	1260.00		NIST
Inp	Outlier 1277.00		NIST
Inp	1258.00		NIST
Inp	1252.00		NIST
Inp	1258.00		NIST
Inp	1258.00		NIST
Inp	1252.00		NIST
Inp	1238.00		NIST
Inp	1226.00		NIST
Inp	1255.00		NIST
Inp	1235.00		NIST
Inp	1262.00		NIST
Inp	1258.00		NIST
Inp	1250.00		NIST
Inp	Outlier 1208.00		NIST
Inp	1227.00		NIST
Inp	1252.00		NIST
Inp	1250.00		NIST
Inp	1252.00		NIST
Inp	1236.00		NIST
Inp	1258.00		NIST
Inp	1255.00		NIST
Inp	1262.00		NIST
I	[1710.00; 1737.00]
I	1737.00		NIST
I	Outlier 1710.00		NIST
I	1714.00		NIST
I	1737.00		NIST
I	1737.00		NIST
I	1737.00		NIST
I	1737.00		NIST
I	1737.00		NIST
I	1737.00		NIST
Tboil	519.27	K	Joback Calculated Property
Tc	741.04	K	Joback Calculated Property
Tfus	276.34	K	Joback Calculated Property
Vc	0.515	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.40; 415.47]	J/mol×K	[519.27; 741.04]
Cp,gas	321.40	J/mol×K	519.27	Joback Calculated Property
Cp,gas	339.21	J/mol×K	556.23	Joback Calculated Property
Cp,gas	356.17	J/mol×K	593.19	Joback Calculated Property
Cp,gas	372.28	J/mol×K	630.16	Joback Calculated Property
Cp,gas	387.53	J/mol×K	667.12	Joback Calculated Property
Cp,gas	401.93	J/mol×K	704.08	Joback Calculated Property
Cp,gas	415.47	J/mol×K	741.04	Joback Calculated Property
ΔvapH	56.90	kJ/mol	435.50	NIST

Similar Compounds

Find more compounds similar to Carvenone.

Sources

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

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