Chemical Properties of cis-11-Eicosenoic acid, methyl ester (CAS 2390-09-2)

InChI

InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-

InChI Key

RBKMRGOHCLRTLZ-KHPPLWFESA-N

Formula

C21H40O2

SMILES

CCCCCCCCC=CCCCCCCCCCC(=O)OC

Molecular Weight¹

324.54

CAS

2390-09-2

Other Names

• (Z)-Methyl eicosa-11-enoate
• 11-Eicosenoic acid, methyl ester, (Z)-
• Methyl (Z)-11-eicosenoate
• cis-Methyl 11-eicosenoate
• methyl cis-11-eicosenoate
• methyl cis-icos-11-enoate

• 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.
• 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	0.9179		Relay (1.0) Calculated Property
ΔcH°liquid	-13190.00	kJ/mol	NIST
ΔfG°	-27.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-724.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.13	kJ/mol	Joback Calculated Property
ΔvapH°	115.80 ± 0.70	kJ/mol	NIST
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-6.99		Relay (1.0) Calculated Property
logPoct/wat	6.977		Crippen Calculated Property
McVol	309.890	ml/mol	McGowan Calculated Property
Pc	1016.83	kPa	Joback Calculated Property
Inp	[2278.00; 2309.50]
Inp	2279.00		NIST
Inp	2302.00		NIST
Inp	2309.50		NIST
Inp	2278.00		NIST
Inp	2278.00		NIST
Inp	2279.00		NIST
Tboil	599.45	K	Relay (1.0) Calculated Property
Tc	785.60	K	Relay (1.0) Calculated Property
Tfus	292.55	K	Relay (1.0) Calculated Property
Vc	1.179	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[945.68; 1049.56]	J/mol×K	[760.33; 936.69]
Cp,gas	945.68	J/mol×K	760.33	Joback Calculated Property
Cp,gas	965.24	J/mol×K	789.72	Joback Calculated Property
Cp,gas	983.86	J/mol×K	819.12	Joback Calculated Property
Cp,gas	1001.56	J/mol×K	848.51	Joback Calculated Property
Cp,gas	1018.40	J/mol×K	877.90	Joback Calculated Property
Cp,gas	1034.38	J/mol×K	907.29	Joback Calculated Property
Cp,gas	1049.56	J/mol×K	936.69	Joback Calculated Property
η	[0.0017576; 0.0143400]	Pa×s	[278.15; 373.15]
η	0.0143400	Pa×s	278.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0119750	Pa×s	283.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0101310	Pa×s	288.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0086667	Pa×s	293.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0074879	Pa×s	298.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0065284	Pa×s	303.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0057379	Pa×s	308.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0050803	Pa×s	313.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0045289	Pa×s	318.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0040624	Pa×s	323.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0036649	Pa×s	328.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0033231	Pa×s	333.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0030278	Pa×s	338.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0027709	Pa×s	343.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0025461	Pa×s	348.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0023484	Pa×s	353.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0021736	Pa×s	358.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0020186	Pa×s	363.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0018807	Pa×s	368.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0017576	Pa×s	373.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
ΔvapH	115.80	kJ/mol	298.15	the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography

Similar Compounds

Find more compounds similar to cis-11-Eicosenoic acid, methyl ester.

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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