Chemical Properties of 2-Octenoic acid, methyl ester

InChI

InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3

InChI Key

CJBQSBZJDJHMLF-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCCCCC=CC(=O)OC

Molecular Weight¹

156.23

Other Names

• Methyl 2-octenoate
• Methyl oct-2-enoate

• ω : Acentric Factor.
• 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_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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5088		Relay (1.0) Calculated Property
ΔfG°	-205.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-442.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.64	kJ/mol	Joback Calculated Property
ΔvapH°	57.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-3.20		Relay (1.0) Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2438.65	kPa	Joback Calculated Property
Inp	[1164.00; 1164.00]
Inp	1164.00		NIST
Inp	1164.00		NIST
Tboil	387.00 ± 6.00	K	NIST
Tc	651.22	K	Relay (1.0) Calculated Property
Tfus	227.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.72; 371.75]	J/mol×K	[467.90; 646.36]
Cp,gas	300.72	J/mol×K	467.90	Joback Calculated Property
Cp,gas	313.95	J/mol×K	497.64	Joback Calculated Property
Cp,gas	326.61	J/mol×K	527.39	Joback Calculated Property
Cp,gas	338.71	J/mol×K	557.13	Joback Calculated Property
Cp,gas	350.25	J/mol×K	586.87	Joback Calculated Property
Cp,gas	361.26	J/mol×K	616.61	Joback Calculated Property
Cp,gas	371.75	J/mol×K	646.36	Joback Calculated Property
η	[0.0001882; 0.0057184]	Pa×s	[228.44; 467.90]
η	0.0057184	Pa×s	228.44	Joback Calculated Property
η	0.0021204	Pa×s	268.35	Joback Calculated Property
η	0.0010165	Pa×s	308.26	Joback Calculated Property
η	0.0005768	Pa×s	348.17	Joback Calculated Property
η	0.0003678	Pa×s	388.08	Joback Calculated Property
η	0.0002550	Pa×s	427.99	Joback Calculated Property
η	0.0001882	Pa×s	467.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Octenoic acid, methyl ester.

Sources

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

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