Chemical Properties of Pentanoic acid, 2-ethyl-, methyl ester (CAS 816-16-0)

InChI

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

InChI Key

IVNZXKXOTJLKHM-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCC(CC)C(=O)OC

Molecular Weight¹

144.21

CAS

816-16-0

Other Names

• Methyl 2-ethylpentanoate
• Methyl «alpha»-ethylvalerate
• Valeric acid, 2-ethyl-, methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.21; 440.70]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.93430e+01
Coefficient B			7.14960e-01
Coefficient C			-3.20000e-04
Coefficient D			2.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.21	J/mol×K	273.00	Calculated Property
Cp,gas	233.40	J/mol×K	353.78	Calculated Property
Cp,gas	271.77	J/mol×K	434.56	Calculated Property
Cp,gas	306.42	J/mol×K	515.33	Calculated Property
Cp,gas	337.42	J/mol×K	596.11	Calculated Property
Cp,gas	364.86	J/mol×K	676.89	Calculated Property
Cp,gas	388.83	J/mol×K	757.67	Calculated Property
Cp,gas	409.40	J/mol×K	838.44	Calculated Property
Cp,gas	426.67	J/mol×K	919.22	Calculated Property
Cp,gas	440.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0103762; 0.0002473]	Pa×s	[207.25; 431.15]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.17637e+01
Coefficient B			1.49126e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			207.25
Temperature range, max.			431.15
η	0.0103762	Pa×s	207.25	Calculated Property
η	0.0047987	Pa×s	232.13	Calculated Property
η	0.0025766	Pa×s	257.01	Calculated Property
η	0.0015440	Pa×s	281.88	Calculated Property
η	0.0010054	Pa×s	306.76	Calculated Property
η	0.0006981	Pa×s	331.64	Calculated Property
η	0.0005101	Pa×s	356.52	Calculated Property
η	0.0003883	Pa×s	381.40	Calculated Property
η	0.0003056	Pa×s	406.28	Calculated Property
η	0.0002473	Pa×s	431.15	Calculated Property

Similar Compounds

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

Sources

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

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