Chemical Properties of D-Carvone (CAS 2244-16-8)

InChI

InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1

InChI Key

ULDHMXUKGWMISQ-SECBINFHSA-N

Formula

C10H14O

SMILES

C=C(C)C1CC=C(C)C(=O)C1

Molecular Weight¹

150.22

CAS

2244-16-8

Other Names

• (+)-Carvon
• (+)-Carvone
• (S)-(+)-Carvone
• (S)-(+)-p-Mentha-6,8-dien-2-one
• (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one
• (S)-Carvone
• 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)-
• 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-
• 2-cyclohexen-1-one, 2-methyl-5-(1-methylethenyl), (5R)-
• 5-Isopropenyl-2-methyl-2-cyclohexen-1-one, (S)-
• Carvone, (+)-
• D-(+)-Carvone
• R-(-)-1-methyl-4-isopropenyl-6-cyclohexen-2-one
• d-1-Methyl-4-isopropenyl-6-cyclohexen-2-one
• d-p-Mentha-6,8(9)-dien-2-one
• l-1-methyl-4-isopropenyl-6-cyclohexen-2-one
• l-carvone
• p-Mentha-6,8-dien-2-one, (S)-(+)-
• p-mentha-6,8-dien-2-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.24	kJ/mol	Joback Calculated Property
ΔvapH°	58.20	kJ/mol	NIST
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-2.30		Relay (1.0) Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Inp	[1194.54; 1270.00]
Inp	1245.00		NIST
Inp	1270.00		NIST
Inp	1212.83		NIST
Inp	1216.93		NIST
Inp	1221.14		NIST
Inp	1225.42		NIST
Inp	1229.89		NIST
Inp	1234.47		NIST
Inp	1239.00		NIST
Inp	1194.54		NIST
Inp	1197.94		NIST
Inp	1201.12		NIST
Inp	1205.05		NIST
Inp	1208.89		NIST
Inp	1223.00		NIST
Inp	1238.00		NIST
Inp	1242.00		NIST
Inp	1254.00		NIST
Inp	1256.00		NIST
Inp	1240.00		NIST
Inp	1257.00		NIST
Inp	1246.00		NIST
Inp	1234.00		NIST
Inp	1249.00		NIST
Inp	1245.00		NIST
Inp	1242.00		NIST
Inp	1222.00		NIST
Inp	1263.00		NIST
Inp	1231.00		NIST
Inp	1270.00		NIST
Inp	1228.00		NIST
Inp	1249.00		NIST
Inp	1210.00		NIST
Inp	1238.00		NIST
Inp	1212.83		NIST
Inp	1234.47		NIST
Inp	1205.05		NIST
Inp	1210.00		NIST
Ip	[1714.00; 1752.00]
Ip	1752.00		NIST
Ip	1740.00		NIST
Ip	1747.00		NIST
Ip	1751.00		NIST
Ip	1744.00		NIST
Ip	1714.00		NIST
Ip	1718.00		NIST
Ip	1717.00		NIST
Ip	1719.00		NIST
Ip	1745.00		NIST
Ip	1749.00		NIST
Ip	1751.00		NIST
Ip	1748.00		NIST
Ip	1728.00		NIST
Ip	1741.00		NIST
Ip	1721.00		NIST
Ip	1729.00		NIST
Ip	1715.00		NIST
Ip	1752.00		NIST
Ip	1714.00		NIST
Tboil	504.20	K	NIST
Tfus	251.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	1.50	kJ/mol	221.60	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	372.20	K	1.30	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
101.80	298.15	958.79
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.29; 456.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.59800e+01
Coefficient B			7.72040e-01
Coefficient C			-3.02640e-04
Coefficient D			2.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.29	J/mol×K	273.00	Calculated Property
Cp,gas	219.40	J/mol×K	353.78	Calculated Property
Cp,gas	262.60	J/mol×K	434.56	Calculated Property
Cp,gas	301.90	J/mol×K	515.33	Calculated Property
Cp,gas	337.31	J/mol×K	596.11	Calculated Property
Cp,gas	368.84	J/mol×K	676.89	Calculated Property
Cp,gas	396.50	J/mol×K	757.67	Calculated Property
Cp,gas	420.29	J/mol×K	838.44	Calculated Property
Cp,gas	440.23	J/mol×K	919.22	Calculated Property
Cp,gas	456.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Carvone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Viscosities and densities of systems involved in the deterpenation of essential oils by liquid-liquid extraction: New UNIFAC-VISCO parameters
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.