Chemical Properties of Tetradecyl trifluoroacetate

InChI

InChI=1S/C16H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h2-14H2,1H3

InChI Key

UVIFJLAXCAKUFR-UHFFFAOYSA-N

Formula

C16H29F3O2

SMILES

CCCCCCCCCCCCCCOC(=O)C(F)(F)F

Molecular Weight¹

310.40

• 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	0.8087		Relay (1.0) Calculated Property
ΔfH°gas	-1267.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.39	kJ/mol	Joback Calculated Property
ΔvapH°	83.00	kJ/mol	Relay (1.0) Calculated Property
IE	10.45	eV	Relay (1.0) Calculated Property
log10WS	-5.97		Relay (1.0) Calculated Property
logPoct/wat	5.793		Crippen Calculated Property
McVol	249.050	ml/mol	McGowan Calculated Property
Pc	1218.29	kPa	Joback Calculated Property
Inp	[1617.40; 1630.10]
Inp	1620.00		NIST
Inp	1617.40		NIST
Inp	1620.00		NIST
Inp	1630.10		NIST
Inp	1617.40		NIST
Inp	1630.10		NIST
Tboil	530.63	K	Relay (1.0) Calculated Property
Tc	661.17	K	Relay (1.0) Calculated Property
Tfus	273.09	K	Relay (1.0) Calculated Property
Vc	0.962	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.49; 784.37]	J/mol×K	[618.48; 774.37]
Cp,gas	693.49	J/mol×K	618.48	Joback Calculated Property
Cp,gas	710.47	J/mol×K	644.46	Joback Calculated Property
Cp,gas	726.69	J/mol×K	670.44	Joback Calculated Property
Cp,gas	742.17	J/mol×K	696.42	Joback Calculated Property
Cp,gas	756.93	J/mol×K	722.41	Joback Calculated Property
Cp,gas	770.99	J/mol×K	748.39	Joback Calculated Property
Cp,gas	784.37	J/mol×K	774.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetradecyl trifluoroacetate.

Sources

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

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