Chemical Properties of Tetracosanoic acid, methyl ester (CAS 2442-49-1)

InChI

InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3

InChI Key

XUDJZDNUVZHSKZ-UHFFFAOYSA-N

Formula

C25H50O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Molecular Weight¹

382.66

CAS

2442-49-1

Other Names

• 24:0, Me ester
• Lignoceric acid methyl ester
• Methyl lignocerate
• methyl tetracosanoate

• 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_fusH : Enthalpy of fusion 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	1.1386		Relay (1.0) Calculated Property
ΔfG°	-150.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-871.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.88	kJ/mol	Joback Calculated Property
ΔvapH°	133.70	kJ/mol	Relay (1.0) Calculated Property
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-8.59		Relay (1.0) Calculated Property
logPoct/wat	8.762		Crippen Calculated Property
McVol	370.550	ml/mol	McGowan Calculated Property
Pc	766.06	kPa	Joback Calculated Property
Inp	[450.20; 2740.00]
Inp	2715.00		NIST
Inp	2715.00		NIST
Inp	2731.30		NIST
Inp	2732.00		NIST
Inp	2712.00		NIST
Inp	2713.00		NIST
Inp	2710.00		NIST
Inp	2715.00		NIST
Inp	2729.90		NIST
Inp	2714.00		NIST
Inp	2731.00		NIST
Inp	2740.00		NIST
Inp	2712.67		NIST
Inp	2737.00		NIST
Inp	2725.00		NIST
Inp	2716.00		NIST
Inp	2687.00		NIST
Inp	2714.00		NIST
Inp	2714.00		NIST
Inp	2725.00		NIST
Inp	2692.00		NIST
Inp	Outlier 450.20		NIST
Inp	Outlier 450.30		NIST
Inp	Outlier 450.20		NIST
I	[3024.00; 3053.00]
I	3024.00		NIST
I	3053.00		NIST
Tboil	621.34	K	Relay (1.0) Calculated Property
Tc	814.27	K	Relay (1.0) Calculated Property
Tfus	324.83	K	Relay (1.0) Calculated Property
Vc	1.464	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1210.11; 1325.55]	J/mol×K	[829.82; 1016.05]
Cp,gas	1210.11	J/mol×K	829.82	Joback Calculated Property
Cp,gas	1232.34	J/mol×K	860.86	Joback Calculated Property
Cp,gas	1253.32	J/mol×K	891.90	Joback Calculated Property
Cp,gas	1273.09	J/mol×K	922.93	Joback Calculated Property
Cp,gas	1291.69	J/mol×K	953.97	Joback Calculated Property
Cp,gas	1309.17	J/mol×K	985.01	Joback Calculated Property
Cp,gas	1325.55	J/mol×K	1016.05	Joback Calculated Property
η	[0.0027066; 0.0051392]	Pa×s	[338.15; 373.15]
η	0.0051392	Pa×s	338.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0046279	Pa×s	343.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0041894	Pa×s	348.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0038102	Pa×s	353.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0034797	Pa×s	358.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0031895	Pa×s	363.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0029327	Pa×s	368.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0027066	Pa×s	373.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
ΔfusH	90.00	kJ/mol	331.20	NIST
ΔvapH	[100.80; 146.20]	kJ/mol	[298.15; 512.50]
ΔvapH	135.70	kJ/mol	298.15	the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
ΔvapH	146.20	kJ/mol	437.00	NIST
ΔvapH	100.80	kJ/mol	509.50	NIST
ΔvapH	136.60 ± 2.50	kJ/mol	512.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[605.20; 826.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54233e+01
Coefficient B			-6.75201e+03
Coefficient C			-1.59102e+02
Temperature range, min.			605.20
Temperature range, max.			826.84
Pvap	1.33	kPa	605.20	Calculated Property
Pvap	2.94	kPa	629.83	Calculated Property
Pvap	6.00	kPa	654.45	Calculated Property
Pvap	11.45	kPa	679.08	Calculated Property
Pvap	20.60	kPa	703.71	Calculated Property
Pvap	35.22	kPa	728.33	Calculated Property
Pvap	57.60	kPa	752.96	Calculated Property
Pvap	90.59	kPa	777.59	Calculated Property
Pvap	137.60	kPa	802.21	Calculated Property
Pvap	202.66	kPa	826.84	Calculated Property

Similar Compounds

Find more compounds similar to Tetracosanoic 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
• The Yaws Handbook of Vapor Pressure

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