Chemical Properties of Pentadecanoic acid, ethyl ester (CAS 41114-00-5)

InChI

InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3

InChI Key

PTEYJUIKYIKULL-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CCCCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

270.45

CAS

41114-00-5

Other Names

• Ethyl pentadecanoate
• n-Pentadecanoic acid ethyl ester

• 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_vapH° : Enthalpy of vaporization at standard conditions (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	0.8567		Relay (1.0) Calculated Property
ΔfG°	-218.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-719.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.15	kJ/mol	Joback Calculated Property
ΔvapH°	91.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-6.00		Relay (1.0) Calculated Property
logPoct/wat	5.641		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1235.48	kPa	Joback Calculated Property
Inp	[1874.00; 1900.00]
Inp	1885.00		NIST
Inp	1876.00		NIST
Inp	1876.00		NIST
Inp	1879.00		NIST
Inp	1884.00		NIST
Inp	1897.00		NIST
Inp	1878.00		NIST
Inp	1893.00		NIST
Inp	1874.00		NIST
Inp	1890.00		NIST
Inp	1880.00		NIST
Inp	1890.00		NIST
Inp	1877.00		NIST
Inp	1877.00		NIST
Inp	1875.00		NIST
Inp	1894.00		NIST
Inp	1897.00		NIST
Inp	1900.00		NIST
Inp	1894.00		NIST
Inp	1880.00		NIST
Inp	1894.00		NIST
Inp	1894.00		NIST
Inp	1893.00		NIST
Inp	1877.00		NIST
Inp	1897.00		NIST
Inp	1894.00		NIST
Inp	1885.00		NIST
Ip	[2116.00; 2179.00]
Ip	2140.00		NIST
Ip	2150.00		NIST
Ip	2146.00		NIST
Ip	2159.00		NIST
Ip	2157.00		NIST
Ip	2172.00		NIST
Ip	2179.00		NIST
Ip	2144.00		NIST
Ip	Outlier 2116.00		NIST
Ip	2148.00		NIST
Ip	2126.00		NIST
Ip	2148.00		NIST
Ip	2148.00		NIST
Ip	2135.00		NIST
Ip	2151.00		NIST
Ip	2161.00		NIST
Ip	2163.00		NIST
Ip	2135.00		NIST
Ip	2130.00		NIST
Ip	2163.00		NIST
Ip	2151.00		NIST
Ip	2140.00		NIST
Ip	2172.00		NIST
Ip	2148.00		NIST
Ip	2179.00		NIST
Tboil	568.62	K	Relay (1.0) Calculated Property
Tc	750.47	K	Relay (1.0) Calculated Property
Tfus	289.85	K	Relay (1.0) Calculated Property
Vc	1.017	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[382.45; 904.48]	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			1.28440e+01
Coefficient B			1.56404e+00
Coefficient C			-8.06400e-04
Coefficient D			1.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.45	J/mol×K	273.00	Calculated Property
Cp,gas	471.17	J/mol×K	353.78	Calculated Property
Cp,gas	551.22	J/mol×K	434.56	Calculated Property
Cp,gas	623.03	J/mol×K	515.33	Calculated Property
Cp,gas	687.02	J/mol×K	596.11	Calculated Property
Cp,gas	743.61	J/mol×K	676.89	Calculated Property
Cp,gas	793.23	J/mol×K	757.67	Calculated Property
Cp,gas	836.30	J/mol×K	838.44	Calculated Property
Cp,gas	873.24	J/mol×K	919.22	Calculated Property
Cp,gas	904.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034020; 0.0001596]	Pa×s	[323.68; 568.24]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27919e+01
Coefficient B			2.30088e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			323.68
Temperature range, max.			568.24
η	0.0034020	Pa×s	323.68	Calculated Property
η	0.0019617	Pa×s	350.85	Calculated Property
η	0.0012244	Pa×s	378.03	Calculated Property
η	0.0008140	Pa×s	405.20	Calculated Property
η	0.0005697	Pa×s	432.37	Calculated Property
η	0.0004159	Pa×s	459.54	Calculated Property
η	0.0003145	Pa×s	486.72	Calculated Property
η	0.0002449	Pa×s	513.89	Calculated Property
η	0.0001956	Pa×s	541.06	Calculated Property
η	0.0001596	Pa×s	568.24	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecanoic acid, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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