Chemical Properties of (1R)-(+)-pulegone

InChI

InChI=1S/C11H20O/c1-5-7-8-10(9(3)4)11(12)6-2/h5-8H2,1-4H3

InChI Key

NHPCTOQWRLAEGD-UHFFFAOYSA-N

Formula

C11H20O

SMILES

CCCCC(C(=O)CC)=C(C)C

Molecular Weight¹

168.28

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.4698		Relay (1.0) Calculated Property
ΔfG°	-24.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-282.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.43	kJ/mol	Joback Calculated Property
ΔvapH°	54.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-3.11		Relay (1.0) Calculated Property
logPoct/wat	3.492		Crippen Calculated Property
McVol	163.120	ml/mol	McGowan Calculated Property
Pc	2165.35	kPa	Joback Calculated Property
Inp	1241.00		NIST
I	[1637.00; 1637.00]
I	1637.00		NIST
I	1637.00		NIST
Tboil	467.35	K	Relay (1.0) Calculated Property
Tc	668.29	K	Relay (1.0) Calculated Property
Tfus	264.67	K	Relay (1.0) Calculated Property
Vc	0.596	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.72; 452.64]	J/mol×K	[508.87; 694.01]
Cp,gas	370.72	J/mol×K	508.87	Joback Calculated Property
Cp,gas	386.10	J/mol×K	539.73	Joback Calculated Property
Cp,gas	400.75	J/mol×K	570.58	Joback Calculated Property
Cp,gas	414.70	J/mol×K	601.44	Joback Calculated Property
Cp,gas	427.98	J/mol×K	632.30	Joback Calculated Property
Cp,gas	440.62	J/mol×K	663.16	Joback Calculated Property
Cp,gas	452.64	J/mol×K	694.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R)-(+)-pulegone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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