Chemical Properties of 2-Ethylbutyric acid, 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C14H28O2/c1-7-12(8-2)13(15)16-10-11(3)9-14(4,5)6/h11-12H,7-10H2,1-6H3

InChI Key

WLQKSHVRTDKBAH-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCC(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

228.38

• 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).
• 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 Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.72; 752.25]	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			-1.22660e+01
Coefficient B			1.41672e+00
Coefficient C			-8.21400e-04
Coefficient D			1.69200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.72	J/mol×K	273.00	Calculated Property
Cp,gas	393.62	J/mol×K	353.78	Calculated Property
Cp,gas	462.15	J/mol×K	434.56	Calculated Property
Cp,gas	522.84	J/mol×K	515.33	Calculated Property
Cp,gas	576.21	J/mol×K	596.11	Calculated Property
Cp,gas	622.82	J/mol×K	676.89	Calculated Property
Cp,gas	663.20	J/mol×K	757.67	Calculated Property
Cp,gas	697.87	J/mol×K	838.44	Calculated Property
Cp,gas	727.38	J/mol×K	919.22	Calculated Property
Cp,gas	752.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0140484; 0.0001600]	Pa×s	[262.29; 527.52]	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			-1.31660e+01
Coefficient B			2.33458e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			262.29
Temperature range, max.			527.52
η	0.0140484	Pa×s	262.29	Calculated Property
η	0.0057172	Pa×s	291.76	Calculated Property
η	0.0027439	Pa×s	321.23	Calculated Property
η	0.0014899	Pa×s	350.70	Calculated Property
η	0.0008893	Pa×s	380.17	Calculated Property
η	0.0005717	Pa×s	409.64	Calculated Property
η	0.0003900	Pa×s	439.11	Calculated Property
η	0.0002792	Pa×s	468.58	Calculated Property
η	0.0002079	Pa×s	498.05	Calculated Property
η	0.0001600	Pa×s	527.52	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 2,4,4-trimethylpentyl ester.

Sources

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

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