Chemical Properties of Tetrahydrocarvone (CAS 499-70-7)

InChI

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1

InChI Key

GCRTVIUGJCJVDD-RKDXNWHRSA-N

Formula

C10H18O

SMILES

CC1CCC(C(C)C)CC1=O

Molecular Weight¹

154.25

CAS

499-70-7

Other Names

• Cyclohexanone, 2-methyl-5-(1-methylethyl)-, trans-
• p-Menthan-2-one, trans-
• trans-p-Menthan-2-one
• trans-5-Isopropyl-2-methylcyclohexanone
• Carvomenthone
• trans-Cyclohexanone, 2-methyl-5-(1-methylethyl)-
• 5-Isopropyl-2-methylcyclohexanone, trans-
• trans-5-isopropyl-2-methylcyclohexan-1-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.55	kJ/mol	Joback Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-2.64		Relay (1.0) Calculated Property
logPoct/wat	2.648		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
Inp	[1145.00; 1208.00]
Inp	1178.00		NIST
Inp	1185.90		NIST
Inp	1145.00		NIST
Inp	1208.00		NIST
Inp	1193.00		NIST
Inp	1181.00		NIST
Inp	1145.00		NIST
Inp	1178.00		NIST
I	[1552.00; 1552.00]
I	1552.00		NIST
I	1552.00		NIST
Tboil	474.74	K	Relay (1.0) Calculated Property
Tfus	299.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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
Cp,gas	[338.98; 443.91]	J/mol×K	[510.46; 728.68]
Cp,gas	338.98	J/mol×K	510.46	Joback Calculated Property
Cp,gas	358.78	J/mol×K	546.83	Joback Calculated Property
Cp,gas	377.66	J/mol×K	583.20	Joback Calculated Property
Cp,gas	395.62	J/mol×K	619.57	Joback Calculated Property
Cp,gas	412.65	J/mol×K	655.94	Joback Calculated Property
Cp,gas	428.75	J/mol×K	692.31	Joback Calculated Property
Cp,gas	443.91	J/mol×K	728.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrocarvone.

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
• 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.