Chemical Properties of Ethyl tridecanoate (CAS 28267-29-0)

InChI

InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3

InChI Key

QJYYMNOTJXIOBP-UHFFFAOYSA-N

Formula

C15H30O2

SMILES

CCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

242.40

CAS

28267-29-0

Other Names

• Tridecanoic acid ethyl ester
• n-Tridecanoic acid ethyl ester
• tridecanoic 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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	0.7864		Relay (1.0) Calculated Property
ΔfG°	-234.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-679.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.70	kJ/mol	Thermal properties of Ethyl Undecanoate and Ethyl Tridecanoate by Adiabatic Calorimetry
ΔvapH°	82.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-5.31		Relay (1.0) Calculated Property
logPoct/wat	4.861		Crippen Calculated Property
McVol	229.650	ml/mol	McGowan Calculated Property
Pc	1420.78	kPa	Joback Calculated Property
Inp	[1675.00; 1700.00]
Inp	1677.00		NIST
Inp	1676.00		NIST
Inp	1676.00		NIST
Inp	1678.00		NIST
Inp	1689.00		NIST
Inp	1687.00		NIST
Inp	1681.00		NIST
Inp	1677.00		NIST
Inp	1677.00		NIST
Inp	1675.00		NIST
Inp	1687.00		NIST
Inp	1695.00		NIST
Inp	Outlier 1700.00		NIST
Inp	1680.00		NIST
Inp	1679.00		NIST
Inp	1687.00		NIST
Inp	1677.00		NIST
I	[1926.00; 1986.00]
I	1941.00		NIST
I	1955.00		NIST
I	1940.00		NIST
I	1966.00		NIST
I	1948.00		NIST
I	1986.00		NIST
I	1943.00		NIST
I	1946.00		NIST
I	1950.00		NIST
I	1926.00		NIST
I	1941.00		NIST
I	1986.00		NIST
I	1926.00		NIST
Tboil	547.22	K	Relay (1.0) Calculated Property
Tc	728.93	K	Relay (1.0) Calculated Property
Tfus	277.30	K	Relay (1.0) Calculated Property
Vc	0.903	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.03; 801.30]	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			1.46620e+01
Coefficient B			1.37404e+00
Coefficient C			-6.97600e-04
Coefficient D			1.10200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.03	J/mol×K	273.00	Calculated Property
Cp,gas	418.34	J/mol×K	353.78	Calculated Property
Cp,gas	489.07	J/mol×K	434.56	Calculated Property
Cp,gas	552.57	J/mol×K	515.33	Calculated Property
Cp,gas	609.19	J/mol×K	596.11	Calculated Property
Cp,gas	659.29	J/mol×K	676.89	Calculated Property
Cp,gas	703.19	J/mol×K	757.67	Calculated Property
Cp,gas	741.27	J/mol×K	838.44	Calculated Property
Cp,gas	773.85	J/mol×K	919.22	Calculated Property
Cp,gas	801.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041353; 0.0001909]	Pa×s	[301.14; 536.20]	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			-1.25034e+01
Coefficient B			2.11256e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			301.14
Temperature range, max.			536.20
η	0.0041353	Pa×s	301.14	Calculated Property
η	0.0023624	Pa×s	327.26	Calculated Property
η	0.0014661	Pa×s	353.38	Calculated Property
η	0.0009716	Pa×s	379.49	Calculated Property
η	0.0006789	Pa×s	405.61	Calculated Property
η	0.0004954	Pa×s	431.73	Calculated Property
η	0.0003747	Pa×s	457.85	Calculated Property
η	0.0002921	Pa×s	483.96	Calculated Property
η	0.0002336	Pa×s	510.08	Calculated Property
η	0.0001909	Pa×s	536.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[428.92; 589.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56938e+01
Coefficient B			-5.10061e+03
Coefficient C			-9.78450e+01
Temperature range, min.			428.92
Temperature range, max.			589.12
Pvap	1.33	kPa	428.92	Calculated Property
Pvap	2.93	kPa	446.72	Calculated Property
Pvap	5.95	kPa	464.52	Calculated Property
Pvap	11.33	kPa	482.32	Calculated Property
Pvap	20.38	kPa	500.12	Calculated Property
Pvap	34.87	kPa	517.92	Calculated Property
Pvap	57.13	kPa	535.72	Calculated Property
Pvap	90.04	kPa	553.52	Calculated Property
Pvap	137.15	kPa	571.32	Calculated Property
Pvap	202.64	kPa	589.12	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl tridecanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermal properties of Ethyl Undecanoate and Ethyl Tridecanoate by Adiabatic Calorimetry
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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