Chemical Properties of Pulegone (CAS 89-82-7)

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3

InChI Key

NZGWDASTMWDZIW-QMMMGPOBSA-N

Formula

C10H16O

SMILES

CC(C)=C1CCC(C)CC1=O

Molecular Weight¹

152.24

CAS

89-82-7

Other Names

• (+)-(R)-Pulegone
• (+)-4(8)-Para-menthen-3-one
• (+)-Pulegone
• (1R)-(+)-p-Menth-4(8)-en-3-one
• (R)-(+)-Pulegone
• (R)-Pulegone
• 1-Isopropylidene-4-methyl-2-cyclohexanone
• 1-Methyl-4-isopropylidene-3-cyclohexanone
• 3-Methyl-6-isopropylidenecyclohexanone
• 4(8)-p-Menthen-3-one, (R)-(+)-
• 5-Methyl-2-(1-methylethylidene)cyclohexanone, (R)-
• Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (5R)-
• Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (R)-
• NSC 15334
• Pulegon
• Pulegone, (d)
• d-Pulegone
• d-p-Menth-4(8)-en-3-one
• p-Menth-4(8)-en-3-one
• p-Menth-4(8)-en-3-one, (R)-(+)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[321.10; 416.18]	J/mol×K	[522.29; 747.47]
Cp,gas	321.10	J/mol×K	522.29	Joback Calculated Property
Cp,gas	339.17	J/mol×K	559.82	Joback Calculated Property
Cp,gas	356.34	J/mol×K	597.35	Joback Calculated Property
Cp,gas	372.63	J/mol×K	634.88	Joback Calculated Property
Cp,gas	388.03	J/mol×K	672.41	Joback Calculated Property
Cp,gas	402.55	J/mol×K	709.94	Joback Calculated Property
Cp,gas	416.18	J/mol×K	747.47	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[369.53; 544.74]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			9.09929e+00
Coefficient B			-1.16405e+03
Coefficient C			-2.37423e+02
Temperature range, min.			369.53
Temperature range, max.			544.74
Pvap	1.33	kPa	369.53	Calculated Property
Pvap	4.14	kPa	389.00	Calculated Property
Pvap	9.91	kPa	408.47	Calculated Property
Pvap	19.87	kPa	427.93	Calculated Property
Pvap	35.01	kPa	447.40	Calculated Property
Pvap	56.04	kPa	466.87	Calculated Property
Pvap	83.33	kPa	486.34	Calculated Property
Pvap	116.98	kPa	505.80	Calculated Property
Pvap	156.86	kPa	525.27	Calculated Property
Pvap	202.66	kPa	544.74	Calculated Property

Similar Compounds

Find more compounds similar to Pulegone.

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
• The Yaws Handbook of Vapor Pressure

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