Chemical Properties of Tridecyl trifluoroacetate

InChI

InChI=1S/C15H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14(19)15(16,17)18/h2-13H2,1H3

InChI Key

DKWJQENYIDPCEX-UHFFFAOYSA-N

Formula

C15H27F3O2

SMILES

CCCCCCCCCCCCCOC(=O)C(F)(F)F

Molecular Weight¹

296.37

Other Names

• Tridecyl 2,2,2-trifluoroacetate
• 1-Tridecanol, trifluoroacetate
• Trifluoroacetic acid, tridecyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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	0.7728		Relay (1.0) Calculated Property
ΔfH°gas	-1247.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.80	kJ/mol	Joback Calculated Property
ΔvapH°	78.73	kJ/mol	Relay (1.0) Calculated Property
IE	10.46	eV	Relay (1.0) Calculated Property
log10WS	-5.61		Relay (1.0) Calculated Property
logPoct/wat	5.403		Crippen Calculated Property
McVol	234.960	ml/mol	McGowan Calculated Property
Pc	1304.23	kPa	Joback Calculated Property
Inp	[1525.00; 1527.50]
Inp	1525.00		NIST
Inp	1527.50		NIST
Inp	1525.00		NIST
Tboil	518.20	K	Relay (1.0) Calculated Property
Tc	648.17	K	Relay (1.0) Calculated Property
Tfus	267.40	K	Relay (1.0) Calculated Property
Vc	0.907	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.16; 823.98]	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			8.46200e+00
Coefficient B			1.53522e+00
Coefficient C			-9.18600e-04
Coefficient D			1.98900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.16	J/mol×K	273.00	Calculated Property
Cp,gas	445.42	J/mol×K	353.78	Calculated Property
Cp,gas	518.46	J/mol×K	434.56	Calculated Property
Cp,gas	582.88	J/mol×K	515.33	Calculated Property
Cp,gas	639.33	J/mol×K	596.11	Calculated Property
Cp,gas	688.44	J/mol×K	676.89	Calculated Property
Cp,gas	730.83	J/mol×K	757.67	Calculated Property
Cp,gas	767.13	J/mol×K	838.44	Calculated Property
Cp,gas	797.97	J/mol×K	919.22	Calculated Property
Cp,gas	823.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tridecyl trifluoroacetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.