Chemical Properties of 4-Pentenoic acid, 2-methyl-, isobutyl ester

InChI

InChI=1S/C10H18O2/c1-5-6-9(4)10(11)12-7-8(2)3/h5,8-9H,1,6-7H2,2-4H3

InChI Key

WBOXHCVWWIJOLN-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

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

Molecular Weight¹

170.25

• 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	[223.52; 515.91]	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			1.28520e+01
Coefficient B			8.90860e-01
Coefficient C			-4.54900e-04
Coefficient D			6.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.52	J/mol×K	273.00	Calculated Property
Cp,gas	274.05	J/mol×K	353.78	Calculated Property
Cp,gas	319.58	J/mol×K	434.56	Calculated Property
Cp,gas	360.32	J/mol×K	515.33	Calculated Property
Cp,gas	396.47	J/mol×K	596.11	Calculated Property
Cp,gas	428.25	J/mol×K	676.89	Calculated Property
Cp,gas	455.87	J/mol×K	757.67	Calculated Property
Cp,gas	479.55	J/mol×K	838.44	Calculated Property
Cp,gas	499.49	J/mol×K	919.22	Calculated Property
Cp,gas	515.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0144535; 0.0002185]	Pa×s	[213.03; 463.60]	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			-1.19927e+01
Coefficient B			1.65224e+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.			213.03
Temperature range, max.			463.60
η	0.0144535	Pa×s	213.03	Calculated Property
η	0.0058972	Pa×s	240.87	Calculated Property
η	0.0028973	Pa×s	268.71	Calculated Property
η	0.0016266	Pa×s	296.55	Calculated Property
η	0.0010084	Pa×s	324.39	Calculated Property
η	0.0006742	Pa×s	352.23	Calculated Property
η	0.0004781	Pa×s	380.08	Calculated Property
η	0.0003554	Pa×s	407.92	Calculated Property
η	0.0002744	Pa×s	435.76	Calculated Property
η	0.0002185	Pa×s	463.60	Calculated Property

Similar Compounds

Find more compounds similar to 4-Pentenoic acid, 2-methyl-, isobutyl ester.

Sources

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

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