Chemical Properties of 4-Pentenoic acid, 3-methyl-, methyl ester (CAS 20459-97-6)

InChI

InChI=1S/C7H12O2/c1-4-6(2)5-7(8)9-3/h4,6H,1,5H2,2-3H3

InChI Key

LPKNFPRCXZELLI-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=CC(C)CC(=O)OC

Molecular Weight¹

128.17

CAS

20459-97-6

Other Names

• methyl 3-methyl-4-pentenoate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[160.19; 360.60]	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			1.72610e+01
Coefficient B			5.99940e-01
Coefficient C			-2.88500e-04
Coefficient D			3.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.19	J/mol×K	273.00	Calculated Property
Cp,gas	194.81	J/mol×K	353.78	Calculated Property
Cp,gas	226.11	J/mol×K	434.56	Calculated Property
Cp,gas	254.18	J/mol×K	515.33	Calculated Property
Cp,gas	279.13	J/mol×K	596.11	Calculated Property
Cp,gas	301.06	J/mol×K	676.89	Calculated Property
Cp,gas	320.07	J/mol×K	757.67	Calculated Property
Cp,gas	336.27	J/mol×K	838.44	Calculated Property
Cp,gas	349.74	J/mol×K	919.22	Calculated Property
Cp,gas	360.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0092075; 0.0002374]	Pa×s	[194.22; 416.24]	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			-1.15456e+01
Coefficient B			1.33194e+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.			194.22
Temperature range, max.			416.24
η	0.0092075	Pa×s	194.22	Calculated Property
η	0.0042509	Pa×s	218.89	Calculated Property
η	0.0022952	Pa×s	243.56	Calculated Property
η	0.0013880	Pa×s	268.23	Calculated Property
η	0.0009136	Pa×s	292.89	Calculated Property
η	0.0006417	Pa×s	317.56	Calculated Property
η	0.0004743	Pa×s	342.23	Calculated Property
η	0.0003651	Pa×s	366.90	Calculated Property
η	0.0002904	Pa×s	391.57	Calculated Property
η	0.0002374	Pa×s	416.24	Calculated Property

Similar Compounds

Find more compounds similar to 4-Pentenoic acid, 3-methyl-, methyl ester.

Sources

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

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