Chemical Properties of Eicosanoic acid, methyl ester (CAS 1120-28-1)

InChI

InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3

InChI Key

QGBRLVONZXHAKJ-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC

Molecular Weight¹

326.56

CAS

1120-28-1

Other Names

• Arachidic acid methyl ester
• Kemester 2050
• Methyl arachisate
• Methyl aracidate
• Methyl eicosenate
• methyl arachidate
• methyl eicosanoate
• methyl icosanoate

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.9981		Relay (1.0) Calculated Property
ΔcH°solid	-13263.00 ± 0.40	kJ/mol	NIST
ΔfG°	-107.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-789.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.79	kJ/mol	Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
ΔvapH°	[116.20; 120.90]	kJ/mol
ΔvapH°	120.90 ± 2.50	kJ/mol	NIST
ΔvapH°	116.40 ± 1.50	kJ/mol	NIST
ΔvapH°	116.20	kJ/mol	NIST
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-7.45		Relay (1.0) Calculated Property
logPoct/wat	7.201		Crippen Calculated Property
McVol	314.190	ml/mol	McGowan Calculated Property
Pc	983.93	kPa	Joback Calculated Property
Inp	[376.90; 2339.00]
Inp	2332.00		NIST
Inp	2295.60		NIST
Inp	2296.70		NIST
Inp	2297.80		NIST
Inp	2299.00		NIST
Inp	2300.20		NIST
Inp	2301.40		NIST
Inp	2302.70		NIST
Inp	2312.00		NIST
Inp	2314.00		NIST
Inp	2314.00		NIST
Inp	2318.00		NIST
Inp	2339.00		NIST
Inp	2310.00		NIST
Inp	2311.59		NIST
Inp	2302.00		NIST
Inp	2329.00		NIST
Inp	2332.00		NIST
Inp	2311.00		NIST
Inp	2311.00		NIST
Inp	2317.00		NIST
Inp	2311.00		NIST
Inp	2335.00		NIST
Inp	2305.00		NIST
Inp	2333.00		NIST
Inp	2309.00		NIST
Inp	2313.00		NIST
Inp	2307.00		NIST
Inp	2307.00		NIST
Inp	2312.00		NIST
Inp	2324.00		NIST
Inp	2329.00		NIST
Inp	Outlier 376.90		NIST
Inp	Outlier 380.64		NIST
Inp	Outlier 390.60		NIST
Inp	Outlier 379.61		NIST
Inp	Outlier 378.87		NIST
Inp	Outlier 378.87		NIST
Inp	Outlier 378.87		NIST
Inp	2307.00		NIST
I	[2617.00; 2646.00]
I	2617.00		NIST
I	2646.00		NIST
I	2638.00		NIST
I	2640.00		NIST
Tboil	595.38	K	Relay (1.0) Calculated Property
Tc	783.24	K	Relay (1.0) Calculated Property
Tfus	320.70	K	Relay (1.0) Calculated Property
Vc	1.238	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.32; 1075.99]	J/mol×K	[756.17; 929.77]
Cp,gas	969.32	J/mol×K	756.17	Joback Calculated Property
Cp,gas	989.43	J/mol×K	785.10	Joback Calculated Property
Cp,gas	1008.57	J/mol×K	814.04	Joback Calculated Property
Cp,gas	1026.77	J/mol×K	842.97	Joback Calculated Property
Cp,gas	1044.06	J/mol×K	871.90	Joback Calculated Property
Cp,gas	1060.46	J/mol×K	900.83	Joback Calculated Property
Cp,gas	1075.99	J/mol×K	929.77	Joback Calculated Property
η	[0.0019591; 0.0048319]	Pa×s	[323.15; 373.15]
η	0.0048319	Pa×s	323.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0043226	Pa×s	328.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0038888	Pa×s	333.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0035170	Pa×s	338.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0031964	Pa×s	343.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0029177	Pa×s	348.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0026745	Pa×s	353.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0024612	Pa×s	358.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0022726	Pa×s	363.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0021066	Pa×s	368.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0019591	Pa×s	373.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
ΔfusH	[73.70; 74.30]	kJ/mol	[319.20; 319.20]
ΔfusH	74.30	kJ/mol	319.20	NIST
ΔfusH	73.70	kJ/mol	319.20	NIST
ΔfusH	73.70	kJ/mol	319.20	NIST
ΔsubH	191.00 ± 10.00	kJ/mol	314.50	NIST
ΔvapH	[76.90; 116.00]	kJ/mol	[298.00; 498.00]
ΔvapH	111.10	kJ/mol	298.00	A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
ΔvapH	116.00	kJ/mol	298.15	the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
ΔvapH	109.20	kJ/mol	350.00	NIST
ΔvapH	97.80 ± 0.20	kJ/mol	406.00	NIST
ΔvapH	92.40	kJ/mol	495.00	NIST
ΔvapH	76.90	kJ/mol	498.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[461.20; 488.70]	K	[0.30; 1.30]
Tboilr	461.20	K	0.30	NIST
Tboilr	488.70	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[533.80; 659.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.12669e+01
Coefficient B			-8.38143e+03
Coefficient C			-1.34290e+02
Temperature range, min.			533.80
Temperature range, max.			659.59
Pvap	1.33	kPa	533.80	Calculated Property
Pvap	2.71	kPa	547.78	Calculated Property
Pvap	5.26	kPa	561.75	Calculated Property
Pvap	9.78	kPa	575.73	Calculated Property
Pvap	17.51	kPa	589.71	Calculated Property
Pvap	30.30	kPa	603.68	Calculated Property
Pvap	50.77	kPa	617.66	Calculated Property
Pvap	82.65	kPa	631.64	Calculated Property
Pvap	131.01	kPa	645.61	Calculated Property
Pvap	202.63	kPa	659.59	Calculated Property

Similar Compounds

Find more compounds similar to Eicosanoic 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
• A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
• Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
• Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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