Chemical Properties of 3-Pentenoic acid 2-methylpropyl ester

InChI

InChI=1S/C9H16O2/c1-4-5-6-9(10)11-7-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4-

InChI Key

RRVVJXIVCJZXHO-SNAWJCMRSA-N

Formula

C9H16O2

SMILES

C/C=C/CC(=O)OCC(C)C

Molecular Weight¹

156.23

• ω : Acentric Factor.
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.43; 461.71]	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			4.25200e+00
Coefficient B			8.29960e-01
Coefficient C			-4.58200e-04
Coefficient D			8.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.43	J/mol×K	273.00	Calculated Property
Cp,gas	244.32	J/mol×K	353.78	Calculated Property
Cp,gas	285.42	J/mol×K	434.56	Calculated Property
Cp,gas	322.00	J/mol×K	515.33	Calculated Property
Cp,gas	354.33	J/mol×K	596.11	Calculated Property
Cp,gas	382.68	J/mol×K	676.89	Calculated Property
Cp,gas	407.33	J/mol×K	757.67	Calculated Property
Cp,gas	428.53	J/mol×K	838.44	Calculated Property
Cp,gas	446.57	J/mol×K	919.22	Calculated Property
Cp,gas	461.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0095417; 0.0001964]	Pa×s	[213.44; 454.85]	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			-1.19687e+01
Coefficient B			1.56166e+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.			213.44
Temperature range, max.			454.85
η	0.0095417	Pa×s	213.44	Calculated Property
η	0.0042157	Pa×s	240.26	Calculated Property
η	0.0021947	Pa×s	267.09	Calculated Property
η	0.0012871	Pa×s	293.91	Calculated Property
η	0.0008254	Pa×s	320.74	Calculated Property
η	0.0005668	Pa×s	347.56	Calculated Property
η	0.0004108	Pa×s	374.38	Calculated Property
η	0.0003108	Pa×s	401.21	Calculated Property
η	0.0002435	Pa×s	428.03	Calculated Property
η	0.0001964	Pa×s	454.85	Calculated Property

Similar Compounds

Find more compounds similar to 3-Pentenoic acid 2-methylpropyl ester.

Sources

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

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