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/t8-/m0/s1

InChI Key

NZGWDASTMWDZIW-QMMMGPOBSA-N

Formula

C10H16O

SMILES

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

Molecular Weight¹

152.23

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)-(+)-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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).
• P_vap : Vapor 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	-5933.30	kJ/mol	NIST
ΔfG°	-27.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-266.87	kJ/mol	Joback Calculated Property
ΔfusH°	12.01	kJ/mol	Joback Calculated Property
ΔvapH°	[58.00; 62.00]	kJ/mol
ΔvapH°	58.00	kJ/mol	NIST
ΔvapH°	62.00	kJ/mol	NIST
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	2758.46	kPa	Joback Calculated Property
Inp	[1203.00; 1259.00]
Inp	1243.00		NIST
Inp	1244.00		NIST
Inp	1209.00		NIST
Inp	1211.00		NIST
Inp	1221.00		NIST
Inp	1238.00		NIST
Inp	1225.00		NIST
Inp	1220.00		NIST
Inp	1234.00		NIST
Inp	1209.00		NIST
Inp	1207.00		NIST
Inp	1215.00		NIST
Inp	1210.00		NIST
Inp	1226.00		NIST
Inp	1233.00		NIST
Inp	1237.00		NIST
Inp	1230.00		NIST
Inp	1212.29		NIST
Inp	1216.66		NIST
Inp	1221.11		NIST
Inp	1225.70		NIST
Inp	1230.35		NIST
Inp	1235.16		NIST
Inp	1239.97		NIST
Inp	1244.84		NIST
Inp	1250.14		NIST
Inp	1203.81		NIST
Inp	1208.00		NIST
Inp	1220.10		NIST
Inp	1244.00		NIST
Inp	1219.00		NIST
Inp	1219.00		NIST
Inp	1214.00		NIST
Inp	1237.00		NIST
Inp	1235.00		NIST
Inp	1226.00		NIST
Inp	1208.00		NIST
Inp	1215.00		NIST
Inp	Outlier 1258.00		NIST
Inp	1237.00		NIST
Inp	1244.00		NIST
Inp	1216.00		NIST
Inp	1236.00		NIST
Inp	1235.00		NIST
Inp	1214.00		NIST
Inp	1207.00		NIST
Inp	1235.00		NIST
Inp	1230.00		NIST
Inp	1243.00		NIST
Inp	1237.00		NIST
Inp	1214.00		NIST
Inp	1237.00		NIST
Inp	1211.00		NIST
Inp	1237.00		NIST
Inp	1235.00		NIST
Inp	1239.00		NIST
Inp	1237.00		NIST
Inp	1235.00		NIST
Inp	1233.00		NIST
Inp	1233.00		NIST
Inp	Outlier 1257.00		NIST
Inp	1237.00		NIST
Inp	1249.00		NIST
Inp	1216.00		NIST
Inp	1235.00		NIST
Inp	1220.00		NIST
Inp	1221.00		NIST
Inp	1230.00		NIST
Inp	1239.00		NIST
Inp	Outlier 1258.00		NIST
Inp	1243.00		NIST
Inp	1215.00		NIST
Inp	1237.00		NIST
Inp	1235.00		NIST
Inp	1244.00		NIST
Inp	1242.00		NIST
Inp	1237.00		NIST
Inp	1236.00		NIST
Inp	1244.00		NIST
Inp	1209.00		NIST
Inp	1249.00		NIST
Inp	1224.00		NIST
Inp	1235.00		NIST
Inp	1230.00		NIST
Inp	1211.00		NIST
Inp	1231.00		NIST
Inp	1222.00		NIST
Inp	1237.00		NIST
Inp	1203.00		NIST
Inp	1221.00		NIST
Inp	1234.00		NIST
Inp	1239.00		NIST
Inp	1252.00		NIST
Inp	1238.00		NIST
Inp	1238.00		NIST
Inp	1223.00		NIST
Inp	1237.00		NIST
Inp	1243.00		NIST
Inp	1237.00		NIST
Inp	1225.00		NIST
Inp	1237.00		NIST
Inp	1237.00		NIST
Inp	1253.00		NIST
Inp	1240.00		NIST
Inp	1220.00		NIST
Inp	1245.00		NIST
Inp	1221.00		NIST
Inp	1228.00		NIST
Inp	1234.00		NIST
Inp	1234.00		NIST
Inp	1230.00		NIST
Inp	1237.00		NIST
Inp	1249.00		NIST
Inp	1230.00		NIST
Inp	1209.00		NIST
Inp	1235.00		NIST
Inp	1237.00		NIST
Inp	1219.00		NIST
Inp	1232.00		NIST
Inp	1207.00		NIST
Inp	1219.00		NIST
Inp	1204.00		NIST
Inp	1220.00		NIST
Inp	1214.00		NIST
Inp	1215.00		NIST
Inp	1210.00		NIST
Inp	1216.00		NIST
Inp	1235.00		NIST
Inp	1237.00		NIST
Inp	1210.00		NIST
Inp	1244.00		NIST
Inp	1241.00		NIST
Inp	1233.00		NIST
Inp	1226.00		NIST
Inp	1233.00		NIST
Inp	1211.00		NIST
Inp	1211.00		NIST
Inp	1211.00		NIST
Inp	1233.00		NIST
Inp	1210.00		NIST
Inp	1237.00		NIST
Inp	1237.00		NIST
Inp	1230.00		NIST
Inp	1237.00		NIST
Inp	1237.00		NIST
Inp	1237.00		NIST
Inp	1216.00		NIST
Inp	1215.00		NIST
Inp	1230.00		NIST
Inp	Outlier 1259.00		NIST
Inp	1212.29		NIST
Inp	1235.16		NIST
Inp	1208.00		NIST
Inp	1235.00		NIST
I	[1622.00; 1665.00]
I	1665.00		NIST
I	1662.00		NIST
I	1661.00		NIST
I	1644.00		NIST
I	1654.00		NIST
I	1650.00		NIST
I	1637.00		NIST
I	1645.00		NIST
I	1665.00		NIST
I	1665.00		NIST
I	1662.00		NIST
I	Outlier 1622.00		NIST
I	Outlier 1631.00		NIST
I	1652.00		NIST
I	1662.00		NIST
I	1662.00		NIST
I	1662.00		NIST
I	1661.00		NIST
I	1661.00		NIST
I	1661.00		NIST
I	1660.00		NIST
I	1659.00		NIST
I	1644.00		NIST
I	1661.00		NIST
I	1656.00		NIST
I	1662.00		NIST
I	1662.00		NIST
I	1665.00		NIST
I	Outlier 1626.00		NIST
I	1662.00		NIST
I	1662.00		NIST
I	1662.00		NIST
I	1662.00		NIST
I	1665.00		NIST
I	1662.00		NIST
I	1662.00		NIST
I	1662.00		NIST
I	1661.00		NIST
I	1661.00		NIST
I	1639.00		NIST
I	1662.00		NIST
Tboil	[497.00; 497.20]	K
Tboil	497.20	K	NIST
Tboil	497.00 ± 0.50	K	NIST
Tboil	497.00 ± 3.00	K	NIST
Tc	747.18	K	Joback Calculated Property
Tfus	274.46	K	Joback Calculated Property
Vc	0.519	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.00; 416.08]	J/mol×K	[522.09; 747.18]
Cp,gas	321.00	J/mol×K	522.09	Joback Calculated Property
Cp,gas	339.06	J/mol×K	559.61	Joback Calculated Property
Cp,gas	356.24	J/mol×K	597.12	Joback Calculated Property
Cp,gas	372.52	J/mol×K	634.64	Joback Calculated Property
Cp,gas	387.93	J/mol×K	672.15	Joback Calculated Property
Cp,gas	402.44	J/mol×K	709.67	Joback Calculated Property
Cp,gas	416.08	J/mol×K	747.18	Joback Calculated Property
Cp,liquid	[274.90; 274.90]	J/mol×K	[293.30; 293.30]
Cp,liquid	274.90	J/mol×K	293.30	NIST
Cp,liquid	274.90	J/mol×K	293.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[369.53; 544.74]	The Yaw...
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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