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

InChI

InChI=1S/C25H38F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31-24(30)21-17-18-23(26)22(20-21)25(27,28)29/h17-18,20H,2-16,19H2,1H3

InChI Key

NYJXVRCADIFCSE-UHFFFAOYSA-N

Formula

C25H38F4O2

SMILES

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

Molecular Weight¹

446.56

• 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	1.1419		Relay (1.0) Calculated Property
ΔfG°	-757.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1456.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.46	kJ/mol	Joback Calculated Property
ΔvapH°	114.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-8.74		Relay (1.0) Calculated Property
logPoct/wat	8.873		Crippen Calculated Property
McVol	353.870	ml/mol	McGowan Calculated Property
Pc	849.00	kPa	Joback Calculated Property
Inp	[2620.00; 2620.00]
Inp	2620.00		NIST
Inp	2620.00		NIST
Tboil	658.90	K	Relay (1.0) Calculated Property
Tc	828.17	K	Relay (1.0) Calculated Property
Tfus	314.75	K	Relay (1.0) Calculated Property
Vc	1.344	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1158.56; 1253.72]	J/mol×K	[878.18; 1075.21]
Cp,gas	1158.56	J/mol×K	878.18	Joback Calculated Property
Cp,gas	1177.13	J/mol×K	911.02	Joback Calculated Property
Cp,gas	1194.54	J/mol×K	943.86	Joback Calculated Property
Cp,gas	1210.84	J/mol×K	976.70	Joback Calculated Property
Cp,gas	1226.09	J/mol×K	1009.53	Joback Calculated Property
Cp,gas	1240.36	J/mol×K	1042.37	Joback Calculated Property
Cp,gas	1253.72	J/mol×K	1075.21	Joback Calculated Property

Similar Compounds

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