Chemical Properties of (Z)-3-Pentenoic acid, methyl ester (CAS 36781-66-5)

InChI

InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3-

InChI Key

KJALUUCEMMPKAC-ARJAWSKDSA-N

Formula

C6H10O2

SMILES

CC=CCC(=O)OC

Molecular Weight¹

114.14

CAS

36781-66-5

Other Names

• (Z)-CH3CH=CHCH2C(O)OCH3

• 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).
• 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	[135.10; 306.40]	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			8.66100e+00
Coefficient B			5.39040e-01
Coefficient C			-2.91800e-04
Coefficient D			5.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.10	J/mol×K	273.00	Calculated Property
Cp,gas	165.08	J/mol×K	353.78	Calculated Property
Cp,gas	191.94	J/mol×K	434.56	Calculated Property
Cp,gas	215.86	J/mol×K	515.33	Calculated Property
Cp,gas	237.00	J/mol×K	596.11	Calculated Property
Cp,gas	255.50	J/mol×K	676.89	Calculated Property
Cp,gas	271.53	J/mol×K	757.67	Calculated Property
Cp,gas	285.25	J/mol×K	838.44	Calculated Property
Cp,gas	296.82	J/mol×K	919.22	Calculated Property
Cp,gas	306.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056648; 0.0002027]	Pa×s	[194.63; 407.33]	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			-1.15515e+01
Coefficient B			1.24136e+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.			194.63
Temperature range, max.			407.33
η	0.0056648	Pa×s	194.63	Calculated Property
η	0.0028395	Pa×s	218.26	Calculated Property
η	0.0016290	Pa×s	241.90	Calculated Property
η	0.0010317	Pa×s	265.53	Calculated Property
η	0.0007041	Pa×s	289.17	Calculated Property
η	0.0005090	Pa×s	312.80	Calculated Property
η	0.0003852	Pa×s	336.43	Calculated Property
η	0.0003023	Pa×s	360.07	Calculated Property
η	0.0002445	Pa×s	383.70	Calculated Property
η	0.0002027	Pa×s	407.33	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-Pentenoic acid, methyl ester.

Sources

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

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