Chemical Properties of 4-Fluoro-3-trifluoromethylbenzoic acid, tetradecyl ester

InChI

InChI=1S/C22H32F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-28-21(27)18-14-15-20(23)19(17-18)22(24,25)26/h14-15,17H,2-13,16H2,1H3

InChI Key

LIWIOMGMKXQQRM-UHFFFAOYSA-N

Formula

C22H32F4O2

SMILES

CCCCCCCCCCCCCCOC(=O)c1ccc(F)c(C(F)(F)F)c1

Molecular Weight¹

404.48

• 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	1.0334		Relay (1.0) Calculated Property
ΔfG°	-782.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1399.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.69	kJ/mol	Joback Calculated Property
ΔvapH°	101.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-7.91		Relay (1.0) Calculated Property
logPoct/wat	7.702		Crippen Calculated Property
McVol	311.600	ml/mol	McGowan Calculated Property
Pc	1011.66	kPa	Joback Calculated Property
Inp	[2324.00; 2324.00]
Inp	2324.00		NIST
Inp	2324.00		NIST
Tboil	633.60	K	Relay (1.0) Calculated Property
Tc	801.98	K	Relay (1.0) Calculated Property
Tfus	306.30	K	Relay (1.0) Calculated Property
Vc	1.183	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[975.71; 1064.65]	J/mol×K	[809.54; 994.06]
Cp,gas	975.71	J/mol×K	809.54	Joback Calculated Property
Cp,gas	992.89	J/mol×K	840.29	Joback Calculated Property
Cp,gas	1009.07	J/mol×K	871.05	Joback Calculated Property
Cp,gas	1024.29	J/mol×K	901.80	Joback Calculated Property
Cp,gas	1038.60	J/mol×K	932.55	Joback Calculated Property
Cp,gas	1052.04	J/mol×K	963.31	Joback Calculated Property
Cp,gas	1064.65	J/mol×K	994.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-3-trifluoromethylbenzoic acid, tetradecyl ester.

Sources

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

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