Chemical Properties of 2-Butenoic acid, 1-methylpropyl ester, (E)- (CAS 10371-45-6)

InChI

InChI=1S/C8H14O2/c1-4-6-8(9)10-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+

InChI Key

KAKJZWSUVDRWQU-GQCTYLIASA-N

Formula

C8H14O2

SMILES

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

Molecular Weight¹

142.20

CAS

10371-45-6

Other Names

• Crotonic acid, sec-butyl ester
• sec-Butyl Crotonate
• (E)-2-Butenoic acid 1-methylpropyl ester

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[177.21; 410.12]	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			5.16100e+00
Coefficient B			7.34960e-01
Coefficient C			-4.03800e-04
Coefficient D			7.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.21	J/mol×K	273.00	Calculated Property
Cp,gas	217.90	J/mol×K	353.78	Calculated Property
Cp,gas	254.35	J/mol×K	434.56	Calculated Property
Cp,gas	286.77	J/mol×K	515.33	Calculated Property
Cp,gas	315.42	J/mol×K	596.11	Calculated Property
Cp,gas	340.52	J/mol×K	676.89	Calculated Property
Cp,gas	362.31	J/mol×K	757.67	Calculated Property
Cp,gas	381.02	J/mol×K	838.44	Calculated Property
Cp,gas	396.88	J/mol×K	919.22	Calculated Property
Cp,gas	410.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0100013; 0.0001977]	Pa×s	[202.17; 440.03]	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			-1.18638e+01
Coefficient B			1.46750e+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.			202.17
Temperature range, max.			440.03
η	0.0100013	Pa×s	202.17	Calculated Property
η	0.0043212	Pa×s	228.60	Calculated Property
η	0.0022217	Pa×s	255.03	Calculated Property
η	0.0012943	Pa×s	281.46	Calculated Property
η	0.0008273	Pa×s	307.88	Calculated Property
η	0.0005676	Pa×s	334.31	Calculated Property
η	0.0004115	Pa×s	360.74	Calculated Property
η	0.0003117	Pa×s	387.17	Calculated Property
η	0.0002447	Pa×s	413.60	Calculated Property
η	0.0001977	Pa×s	440.03	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, 1-methylpropyl ester, (E)-.

Sources

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

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