Chemical Properties of 4-Octenoic acid, methyl ester, (Z)- (CAS 21063-71-8)

InChI

InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-

InChI Key

SSPBQLGVUAXSMH-WAYWQWQTSA-N

Formula

C9H16O2

SMILES

CCCC=CCCC(=O)OC

Molecular Weight¹

156.22

CAS

21063-71-8

Other Names

• cis-4-Octenoic acid, methyl ester
• Methyl cis-4-octenoate
• Methyl (4Z)-4-octenoate
• Methyl 4-octenoate, (Z)-
• Methyl (Z)-4-octenoate
• methyl (Z)-oct-4-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.
• I : Polar retention indices.
• 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	0.4556		Relay (1.0) Calculated Property
ΔfG°	-205.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.64	kJ/mol	Joback Calculated Property
ΔvapH°	60.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-2.40		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	[1092.00; 1099.00]
Inp	1092.00		NIST
Inp	1099.00		NIST
Inp	1097.00		NIST
Inp	1097.00		NIST
Inp	1092.00		NIST
I	[1418.00; 1434.00]
I	1434.00		NIST
I	1418.00		NIST
I	1434.00		NIST
Tboil	447.32	K	Relay (1.0) Calculated Property
Tc	637.87	K	Relay (1.0) Calculated Property
Tfus	195.58	K	Relay (1.0) Calculated Property
Vc	0.519	m3/kmol	Relay (1.0) Calculated Property

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 4-Octenoic acid, methyl ester, (Z)-.

Sources

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

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