Chemical Properties of Pentanoic acid, 2-methyl-, ethyl ester (CAS 39255-32-8)

InChI

InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3

InChI Key

HZPKNSYIDSNZKW-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCC(C)C(=O)OCC

Molecular Weight¹

144.21

CAS

39255-32-8

Other Names

• Ethyl 2-methylvalerate
• Ethyl «alpha»-methylvalerate
• Manzanate
• ethyl 2-methylpentanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4657		Relay (1.0) Calculated Property
ΔfG°	-296.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.32	kJ/mol	Joback Calculated Property
ΔvapH°	46.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-2.12		Relay (1.0) Calculated Property
logPoct/wat	1.986		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2568.89	kPa	Joback Calculated Property
Inp	[917.00; 941.00]
Inp	917.00		NIST
Inp	917.00		NIST
Inp	940.00		NIST
Inp	923.00		NIST
Inp	936.00		NIST
Inp	941.00		NIST
Inp	941.00		NIST
Inp	917.00		NIST
Inp	936.00		NIST
Inp	917.00		NIST
Inp	941.00		NIST
I	[1141.00; 1152.00]
I	1152.00		NIST
I	1141.00		NIST
I	1141.00		NIST
I	1141.00		NIST
Tboil	406.18	K	Relay (1.0) Calculated Property
Tc	601.94	K	Relay (1.0) Calculated Property
Tfus	196.38	K	Relay (1.0) Calculated Property
Vc	0.492	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.41; 344.48]	J/mol×K	[440.42; 615.93]
Cp,gas	274.41	J/mol×K	440.42	Joback Calculated Property
Cp,gas	287.29	J/mol×K	469.67	Joback Calculated Property
Cp,gas	299.68	J/mol×K	498.92	Joback Calculated Property
Cp,gas	311.59	J/mol×K	528.18	Joback Calculated Property
Cp,gas	323.02	J/mol×K	557.43	Joback Calculated Property
Cp,gas	333.99	J/mol×K	586.68	Joback Calculated Property
Cp,gas	344.48	J/mol×K	615.93	Joback Calculated Property
η	[0.0002299; 0.0103762]	Pa×s	[207.25; 440.42]
η	0.0103762	Pa×s	207.25	Joback Calculated Property
η	0.0033312	Pa×s	246.11	Joback Calculated Property
η	0.0014580	Pa×s	284.97	Joback Calculated Property
η	0.0007781	Pa×s	323.83	Joback Calculated Property
η	0.0004750	Pa×s	362.70	Joback Calculated Property
η	0.0003191	Pa×s	401.56	Joback Calculated Property
η	0.0002299	Pa×s	440.42	Joback Calculated Property
ΔvapH	48.40	kJ/mol	298.15	Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography

Similar Compounds

Find more compounds similar to Pentanoic acid, 2-methyl-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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