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

• 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).
• 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
ΔfG°	-219.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-458.53	kJ/mol	Joback Calculated Property
ΔfusH°	15.74	kJ/mol	Joback Calculated Property
ΔvapH°	42.17	kJ/mol	Joback Calculated Property
log10WS	-1.79		Crippen Calculated Property
logPoct/wat	1.986		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2679.08	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	941.00		NIST
Inp	917.00		NIST
Inp	936.00		NIST
I	[1141.00; 1152.00]
I	1152.00		NIST
I	1141.00		NIST
I	1141.00		NIST
I	1141.00		NIST
Tboil	458.29	K	Joback Calculated Property
Tc	637.16	K	Joback Calculated Property
Tfus	237.08	K	Joback Calculated Property
Vc	0.501	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.83; 348.57]	J/mol×K	[458.29; 637.16]
Cp,gas	279.83	J/mol×K	458.29	Joback Calculated Property
Cp,gas	292.41	J/mol×K	488.10	Joback Calculated Property
Cp,gas	304.54	J/mol×K	517.91	Joback Calculated Property
Cp,gas	316.22	J/mol×K	547.72	Joback Calculated Property
Cp,gas	327.44	J/mol×K	577.53	Joback Calculated Property
Cp,gas	338.23	J/mol×K	607.34	Joback Calculated Property
Cp,gas	348.57	J/mol×K	637.16	Joback Calculated Property
η	[0.0002420; 0.0048246]	Pa×s	[237.08; 458.29]
η	0.0048246	Pa×s	237.08	Joback Calculated Property
η	0.0020946	Pa×s	273.95	Joback Calculated Property
η	0.0011084	Pa×s	310.82	Joback Calculated Property
η	0.0006713	Pa×s	347.69	Joback Calculated Property
η	0.0004476	Pa×s	384.55	Joback Calculated Property
η	0.0003204	Pa×s	421.42	Joback Calculated Property
η	0.0002420	Pa×s	458.29	Joback Calculated Property
ΔvapH	48.40	kJ/mol	298.15	Vapor p...

Similar Compounds

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

Sources

• 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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