Chemical Properties of Tridecanoic acid, methyl ester (CAS 1731-88-0)

InChI

InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3

InChI Key

JNDDPBOKWCBQSM-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCCCCCCCCC(=O)OC

Molecular Weight¹

228.37

CAS

1731-88-0

Other Names

• Methyl ester of tridecanoic acid
• Methyl n-tridecanoate
• Methyl tridecanoate ester
• methyl tridecanoate
• n-Tridecanoic acid methyl ester

• 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).
• 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	0.7519		Relay (1.0) Calculated Property
ΔcH°liquid	-8792.40 ± 1.80	kJ/mol	NIST
ΔfG°	-243.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-645.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.57	kJ/mol	Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
ΔvapH°	[80.00; 82.70]	kJ/mol
ΔvapH°	82.68	kJ/mol	NIST
ΔvapH°	80.00 ± 0.50	kJ/mol	NIST
ΔvapH°	81.30 ± 0.70	kJ/mol	NIST
ΔvapH°	82.68 ± 0.84	kJ/mol	NIST
ΔvapH°	82.70 ± 0.80	kJ/mol	NIST
ΔvapH°	81.60 ± 4.20	kJ/mol	NIST
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.470		Crippen Calculated Property
McVol	215.560	ml/mol	McGowan Calculated Property
Pc	1529.46	kPa	Joback Calculated Property
Inp	[275.62; 1631.00]
Inp	1624.40		NIST
Inp	Outlier 275.62		NIST
Inp	1609.00		NIST
Inp	1615.00		NIST
Inp	1607.00		NIST
Inp	1622.00		NIST
Inp	1631.00		NIST
Inp	1625.00		NIST
Inp	1624.40		NIST
Inp	1606.00		NIST
Inp	1608.00		NIST
Inp	1605.00		NIST
Inp	1626.00		NIST
Inp	1617.00		NIST
Inp	1605.00		NIST
Inp	1607.00		NIST
Inp	1605.00		NIST
Inp	1612.00		NIST
Inp	Outlier 275.62		NIST
Inp	Outlier 275.62		NIST
Inp	1608.00		NIST
Inp	1607.00		NIST
Inp	1605.00		NIST
Inp	1631.00		NIST
Inp	1609.00		NIST
Inp	1622.00		NIST
I	[1866.00; 1936.00]
I	1921.00		NIST
I	1906.00		NIST
I	1936.00		NIST
I	Outlier 1866.00		NIST
I	1911.00		NIST
I	1913.00		NIST
I	1921.00		NIST
I	1895.00		NIST
I	1911.00		NIST
I	1906.00		NIST
Tboil	534.97	K	Relay (1.0) Calculated Property
Tc	722.40	K	Relay (1.0) Calculated Property
Tfus	[278.25; 279.00]	K
Tfus	278.25 ± 0.35	K	NIST
Tfus	279.00 ± 0.05	K	NIST
Vc	0.844	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.04; 651.43]	J/mol×K	[578.14; 743.60]
Cp,gas	559.04	J/mol×K	578.14	Joback Calculated Property
Cp,gas	576.17	J/mol×K	605.72	Joback Calculated Property
Cp,gas	592.58	J/mol×K	633.29	Joback Calculated Property
Cp,gas	608.31	J/mol×K	660.87	Joback Calculated Property
Cp,gas	623.35	J/mol×K	688.45	Joback Calculated Property
Cp,gas	637.72	J/mol×K	716.03	Joback Calculated Property
Cp,gas	651.43	J/mol×K	743.60	Joback Calculated Property
η	[0.0001401; 0.0045126]	Pa×s	[289.87; 578.14]
η	0.0045126	Pa×s	289.87	Joback Calculated Property
η	0.0016767	Pa×s	337.91	Joback Calculated Property
η	0.0007972	Pa×s	385.96	Joback Calculated Property
η	0.0004468	Pa×s	434.00	Joback Calculated Property
η	0.0002811	Pa×s	482.05	Joback Calculated Property
η	0.0001923	Pa×s	530.09	Joback Calculated Property
η	0.0001401	Pa×s	578.14	Joback Calculated Property
ΔvapH	[72.30; 80.70]	kJ/mol	[298.15; 440.50]
ΔvapH	80.70	kJ/mol	298.15	the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
ΔvapH	74.00	kJ/mol	350.00	NIST
ΔvapH	72.30 ± 0.10	kJ/mol	368.00	NIST
ΔvapH	72.60	kJ/mol	440.50	NIST
Pvap	[2.39e-04; 0.03]	kPa	[298.15; 355.15]
Pvap	2.39e-04	kPa	298.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	3.02e-04	kPa	300.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	4.10e-04	kPa	303.25	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	4.85e-04	kPa	305.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	6.97e-04	kPa	308.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	7.99e-04	kPa	310.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	1.12e-03	kPa	313.35	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	1.30e-03	kPa	315.05	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	1.74e-03	kPa	318.25	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	2.03e-03	kPa	320.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	2.58e-03	kPa	323.25	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	3.14e-03	kPa	325.05	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	4.15e-03	kPa	328.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	4.92e-03	kPa	330.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	6.26e-03	kPa	333.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	7.39e-03	kPa	335.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	9.34e-03	kPa	338.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	0.01	kPa	340.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	0.01	kPa	343.05	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	0.02	kPa	345.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	0.02	kPa	348.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	0.02	kPa	350.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	0.03	kPa	353.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
Pvap	0.03	kPa	355.15	Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[365.70; 404.20]	K	[0.10; 0.50]
Tboilr	365.70	K	0.10	NIST
Tboilr	404.20	K	0.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[413.32; 574.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53067e+01
Coefficient B			-4.81958e+03
Coefficient C			-9.24240e+01
Temperature range, min.			413.32
Temperature range, max.			574.61
Pvap	1.33	kPa	413.32	Calculated Property
Pvap	2.95	kPa	431.24	Calculated Property
Pvap	6.03	kPa	449.16	Calculated Property
Pvap	11.51	kPa	467.08	Calculated Property
Pvap	20.70	kPa	485.00	Calculated Property
Pvap	35.38	kPa	502.93	Calculated Property
Pvap	57.81	kPa	520.85	Calculated Property
Pvap	90.81	kPa	538.77	Calculated Property
Pvap	137.78	kPa	556.69	Calculated Property
Pvap	202.65	kPa	574.61	Calculated Property

Similar Compounds

Find more compounds similar to Tridecanoic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Fatty acids methyl esters: Complementary measurements and comprehensive analysis of vaporization thermodynamics
• the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
• Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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