Chemical Properties of Undecyl trifluoroacetate

InChI

InChI=1S/C13H23F3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12(17)13(14,15)16/h2-11H2,1H3

InChI Key

OSMPYUQBJFIJED-UHFFFAOYSA-N

Formula

C13H23F3O2

SMILES

CCCCCCCCCCCOC(=O)C(F)(F)F

Molecular Weight¹

268.32

Other Names

• Trifluoroacetic acid, undecyl 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	0.7003		Relay (1.0) Calculated Property
ΔfH°gas	-1206.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.62	kJ/mol	Joback Calculated Property
ΔvapH°	70.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.47	eV	Relay (1.0) Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	4.623		Crippen Calculated Property
McVol	206.780	ml/mol	McGowan Calculated Property
Pc	1505.81	kPa	Joback Calculated Property
Inp	[1341.00; 1343.60]
Inp	1343.60		NIST
Inp	1341.00		NIST
Inp	1343.60		NIST
Inp	1341.00		NIST
Tboil	491.63	K	Relay (1.0) Calculated Property
Tc	620.82	K	Relay (1.0) Calculated Property
Tfus	253.24	K	Relay (1.0) Calculated Property
Vc	0.797	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	[320.73; 720.80]	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			1.02800e+01
Coefficient B			1.34522e+00
Coefficient C			-8.09800e-04
Coefficient D			1.75100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.73	J/mol×K	273.00	Calculated Property
Cp,gas	392.59	J/mol×K	353.78	Calculated Property
Cp,gas	456.30	J/mol×K	434.56	Calculated Property
Cp,gas	512.42	J/mol×K	515.33	Calculated Property
Cp,gas	561.51	J/mol×K	596.11	Calculated Property
Cp,gas	604.12	J/mol×K	676.89	Calculated Property
Cp,gas	640.79	J/mol×K	757.67	Calculated Property
Cp,gas	672.10	J/mol×K	838.44	Calculated Property
Cp,gas	698.58	J/mol×K	919.22	Calculated Property
Cp,gas	720.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Undecyl trifluoroacetate.

Sources

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

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