Chemical Properties of 13-Docosenoic acid, methyl ester, (Z)- (CAS 1120-34-9)

InChI

InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-

InChI Key

ZYNDJIBBPLNPOW-KHPPLWFESA-N

Formula

C23H44O2

SMILES

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC

Molecular Weight¹

352.59

CAS

1120-34-9

Other Names

• Erucic acid methyl ester
• Methyl 13-docosenoate-, cis-
• Methyl cis-13-docosenoate
• brassidic acid, methyl ester
• cis-13-Docosenoic acid, methyl ester
• erucic acid, methyl ester
• methyl (Z)-13-docosenoate
• methyl (Z)-docos-13-enoate
• methyl erucate

• 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_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).
• I_np : Non-polar retention indices.
• I_p : 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	0.9879		Relay (1.0) Calculated Property
ΔcH°liquid	-14451.50 ± 1.50	kJ/mol	NIST
ΔfG°	-87.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-767.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.90	kJ/mol	Joback Calculated Property
ΔvapH°	[123.80; 125.60]	kJ/mol
ΔvapH°	125.60 ± 1.20	kJ/mol	NIST
ΔvapH°	123.80	kJ/mol	NIST
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-7.61		Relay (1.0) Calculated Property
logPoct/wat	7.757		Crippen Calculated Property
McVol	338.070	ml/mol	McGowan Calculated Property
Pc	881.04	kPa	Joback Calculated Property
Inp	[2459.00; 2507.80]
Inp	2460.30		NIST
Inp	2473.00		NIST
Inp	2480.00		NIST
Inp	2507.80		NIST
Inp	2486.00		NIST
Inp	2459.00		NIST
Inp	2486.00		NIST
Inp	2507.80		NIST
Inp	2460.30		NIST
Ip	[2844.00; 2878.00]
Ip	2844.00		NIST
Ip	2878.00		NIST
Tboil	613.18	K	Relay (1.0) Calculated Property
Tc	803.63	K	Relay (1.0) Calculated Property
Tfus	296.16	K	Relay (1.0) Calculated Property
Vc	1.293	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	[0.0023223; 0.0180870]	Pa×s	[278.15; 363.15]
η	0.0180870	Pa×s	278.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0149430	Pa×s	283.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0125560	Pa×s	288.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0106570	Pa×s	293.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0091414	Pa×s	298.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0079069	Pa×s	303.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0069171	Pa×s	308.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0059575	Pa×s	313.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0054021	Pa×s	318.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0047602	Pa×s	323.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0043306	Pa×s	328.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0039100	Pa×s	333.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0035480	Pa×s	338.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0032344	Pa×s	343.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0029609	Pa×s	348.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0027070	Pa×s	353.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0025097	Pa×s	358.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0023223	Pa×s	363.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
ΔvapH	[93.50; 125.60]	kJ/mol	[298.15; 498.00]
ΔvapH	125.60	kJ/mol	298.15	the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
ΔvapH	93.50	kJ/mol	498.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.73; 1183.45]	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			-6.79200e+00
Coefficient B			2.15404e+00
Coefficient C			-1.21660e-03
Coefficient D			2.52800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	495.73	J/mol×K	273.00	Calculated Property
Cp,gas	614.18	J/mol×K	353.78	Calculated Property
Cp,gas	720.26	J/mol×K	434.56	Calculated Property
Cp,gas	814.76	J/mol×K	515.33	Calculated Property
Cp,gas	898.49	J/mol×K	596.11	Calculated Property
Cp,gas	972.24	J/mol×K	676.89	Calculated Property
Cp,gas	1036.81	J/mol×K	757.67	Calculated Property
Cp,gas	1093.00	J/mol×K	838.44	Calculated Property
Cp,gas	1141.61	J/mol×K	919.22	Calculated Property
Cp,gas	1183.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 13-Docosenoic acid, methyl ester, (Z)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
• Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
• Joback Method
• McGowan Method
• NIST Webbook

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