Chemical Properties of 4-Pentenoic acid, ethyl ester

InChI

InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3

InChI Key

PTVSRINJXWDIKP-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=CCCC(=O)OCC

Molecular Weight¹

128.17

Other Names

• Ethyl 4-pentenoate
• Ethyl pent-4-enoate
• 4-Ethoxycarbonylbut-1-ene
• ethyl pent-4-en-1-oate

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Property	Value	Unit	Source
ω	0.4061		Relay (1.0) Calculated Property
ΔcH°liquid	-4038.00 ± 2.10	kJ/mol	NIST
ΔfG°	-214.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-385.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-431.00 ± 2.00	kJ/mol	NIST
ΔfusH°	16.98	kJ/mol	Joback Calculated Property
ΔvapH°	[46.00; 46.00]	kJ/mol
ΔvapH°	46.00 ± 1.00	kJ/mol	NIST
ΔvapH°	46.00	kJ/mol	NIST
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-1.31		Relay (1.0) Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	2944.08	kPa	Joback Calculated Property
Tboil	409.14	K	Relay (1.0) Calculated Property
Tc	601.92	K	Relay (1.0) Calculated Property
Tfus	184.07	K	Relay (1.0) Calculated Property
Vc	0.413	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.51; 277.05]	J/mol×K	[414.66; 591.01]
Cp,gas	218.51	J/mol×K	414.66	Joback Calculated Property
Cp,gas	229.30	J/mol×K	444.05	Joback Calculated Property
Cp,gas	239.67	J/mol×K	473.44	Joback Calculated Property
Cp,gas	249.62	J/mol×K	502.83	Joback Calculated Property
Cp,gas	259.17	J/mol×K	532.23	Joback Calculated Property
Cp,gas	268.31	J/mol×K	561.62	Joback Calculated Property
Cp,gas	277.05	J/mol×K	591.01	Joback Calculated Property
η	[0.0002508; 0.0053740]	Pa×s	[209.22; 414.66]
η	0.0053740	Pa×s	209.22	Joback Calculated Property
η	0.0022516	Pa×s	243.46	Joback Calculated Property
η	0.0011691	Pa×s	277.70	Joback Calculated Property
η	0.0007010	Pa×s	311.94	Joback Calculated Property
η	0.0004651	Pa×s	346.18	Joback Calculated Property
η	0.0003322	Pa×s	380.42	Joback Calculated Property
η	0.0002508	Pa×s	414.66	Joback Calculated Property
ΔvapH	38.00	kJ/mol	293.00	NIST

Similar Compounds

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

Sources

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

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