Chemical Properties of 4-Fluoro-2-trifluoromethylbenzoic acid, 4-isopropylphenyl ester

InChI

InChI=1S/C17H14F4O2/c1-10(2)11-3-6-13(7-4-11)23-16(22)14-8-5-12(18)9-15(14)17(19,20)21/h3-10H,1-2H3

InChI Key

FIOIQCOHMQCPSL-UHFFFAOYSA-N

Formula

C17H14F4O2

SMILES

CC(C)c1ccc(OC(=O)c2ccc(F)cc2C(F)(F)F)cc1

Molecular Weight¹

326.29

• 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	0.6978		Relay (... Calculated Property
ΔfG°	-724.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1084.04	kJ/mol	Relay (... Calculated Property
ΔfusH°	30.87	kJ/mol	Joback Calculated Property
ΔvapH°	83.26	kJ/mol	Relay (... Calculated Property
IE	8.67	eV	Relay (... Calculated Property
log10WS	-5.94		Relay (... Calculated Property
logPoct/wat	5.187		Crippen Calculated Property
McVol	217.390	ml/mol	McGowan Calculated Property
Pc	1826.28	kPa	Joback Calculated Property
Inp	[1878.00; 1878.00]
Inp	1878.00		NIST
Inp	1878.00		NIST
Tboil	592.75	K	Relay (... Calculated Property
Tc	825.64	K	Relay (... Calculated Property
Tfus	327.67	K	Relay (... Calculated Property
Vc	0.789	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[603.82; 673.13]	J/mol×K	[726.36; 936.57]
Cp,gas	603.82	J/mol×K	726.36	Joback Calculated Property
Cp,gas	617.80	J/mol×K	761.39	Joback Calculated Property
Cp,gas	630.73	J/mol×K	796.43	Joback Calculated Property
Cp,gas	642.68	J/mol×K	831.46	Joback Calculated Property
Cp,gas	653.70	J/mol×K	866.50	Joback Calculated Property
Cp,gas	663.83	J/mol×K	901.53	Joback Calculated Property
Cp,gas	673.13	J/mol×K	936.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzoic acid, 4-isopropylphenyl ester.

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.