Chemical Properties of Neopulegyl acetate

InChI

InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,12H,5-7H2,1-4H3

InChI Key

ZAPTZQHAWAYFSW-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

CC(=O)OC1CC(C)CCC1=C(C)C

Molecular Weight¹

196.29

• 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.
• 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	0.4095		Relay (... Calculated Property
ΔfG°	-130.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-476.76	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.54	kJ/mol	Joback Calculated Property
ΔvapH°	65.51	kJ/mol	Relay (... Calculated Property
IE	8.31	eV	Relay (... Calculated Property
log10WS	-3.05		Relay (... Calculated Property
logPoct/wat	3.075		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2229.20	kPa	Joback Calculated Property
Inp	[1263.00; 1263.00]
Inp	1263.00		NIST
Inp	1263.00		NIST
Tboil	494.36	K	Relay (... Calculated Property
Tc	693.56	K	Relay (... Calculated Property
Tfus	255.71	K	Relay (... Calculated Property
Vc	0.593	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.34; 535.03]	J/mol×K	[571.65; 780.75]
Cp,gas	436.34	J/mol×K	571.65	Joback Calculated Property
Cp,gas	455.18	J/mol×K	606.50	Joback Calculated Property
Cp,gas	473.04	J/mol×K	641.35	Joback Calculated Property
Cp,gas	489.95	J/mol×K	676.20	Joback Calculated Property
Cp,gas	505.91	J/mol×K	711.05	Joback Calculated Property
Cp,gas	520.93	J/mol×K	745.90	Joback Calculated Property
Cp,gas	535.03	J/mol×K	780.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neopulegyl acetate.

Sources

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

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