Chemical Properties of Trifluoroacetic acid, 4-cyanophenyl ester

InChI

InChI=1S/C9H4F3NO2/c10-9(11,12)8(14)15-7-3-1-6(5-13)2-4-7/h1-4H

InChI Key

HWKXKPAUJNGARQ-UHFFFAOYSA-N

Formula

C9H4F3NO2

SMILES

N#Cc1ccc(OC(=O)C(F)(F)F)cc1

Molecular Weight¹

215.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	-554.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-681.03	kJ/mol	Joback Calculated Property
ΔfusH°	18.84	kJ/mol	Joback Calculated Property
ΔvapH°	54.45	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.026		Crippen Calculated Property
McVol	128.040	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[851.00; 851.00]
Inp	851.00		NIST
Inp	851.00		NIST
Tboil	609.93	K	Joback Calculated Property
Tc	823.96	K	Joback Calculated Property
Tfus	371.47	K	Joback Calculated Property
Vc	0.524	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[304.80; 347.82]	J/mol×K	[609.93; 823.96]
Cp,gas	304.80	J/mol×K	609.93	Joback Calculated Property
Cp,gas	313.57	J/mol×K	645.60	Joback Calculated Property
Cp,gas	321.66	J/mol×K	681.27	Joback Calculated Property
Cp,gas	329.09	J/mol×K	716.94	Joback Calculated Property
Cp,gas	335.91	J/mol×K	752.62	Joback Calculated Property
Cp,gas	342.14	J/mol×K	788.29	Joback Calculated Property
Cp,gas	347.82	J/mol×K	823.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trifluoroacetic acid, 4-cyanophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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