Chemical Properties of 4-Trifluoromethylbenzoic acid, 4-chlorophenyl ester

InChI

InChI=1S/C14H8ClF3O2/c15-11-5-7-12(8-6-11)20-13(19)9-1-3-10(4-2-9)14(16,17)18/h1-8H

InChI Key

STHLRRJMXBVNPV-UHFFFAOYSA-N

Formula

C14H8ClF3O2

SMILES

O=C(Oc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

300.66

• ω : Acentric Factor.
• 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).
• 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	0.6402		Relay (1.0) Calculated Property
ΔfG°	-554.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-836.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.13	kJ/mol	Joback Calculated Property
ΔvapH°	83.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	4.578		Crippen Calculated Property
McVol	185.590	ml/mol	McGowan Calculated Property
Pc	2410.00	kPa	Joback Calculated Property
Inp	[1765.00; 1765.00]
Inp	1765.00		NIST
Inp	1765.00		NIST
Tboil	590.69	K	Relay (1.0) Calculated Property
Tc	825.15	K	Relay (1.0) Calculated Property
Tfus	362.61	K	Relay (1.0) Calculated Property
Vc	0.665	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.51; 523.41]	J/mol×K	[691.34; 919.23]
Cp,gas	465.51	J/mol×K	691.34	Joback Calculated Property
Cp,gas	477.56	J/mol×K	729.32	Joback Calculated Property
Cp,gas	488.56	J/mol×K	767.30	Joback Calculated Property
Cp,gas	498.59	J/mol×K	805.28	Joback Calculated Property
Cp,gas	507.70	J/mol×K	843.27	Joback Calculated Property
Cp,gas	515.95	J/mol×K	881.25	Joback Calculated Property
Cp,gas	523.41	J/mol×K	919.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Trifluoromethylbenzoic acid, 4-chlorophenyl ester.

Sources

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

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