Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, pentadecyl ester

InChI

InChI=1S/C24H34F6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-32-22(31)20-18-19(23(25,26)27)15-16-21(20)24(28,29)30/h15-16,18H,2-14,17H2,1H3

InChI Key

OQAGOVODWOBRMN-UHFFFAOYSA-N

Formula

C24H34F6O2

SMILES

CCCCCCCCCCCCCCCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

468.52

• 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	1.1068		Relay (1.0) Calculated Property
ΔfG°	-1152.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1851.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.62	kJ/mol	Joback Calculated Property
ΔvapH°	108.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-8.87		Relay (1.0) Calculated Property
logPoct/wat	8.972		Crippen Calculated Property
McVol	343.320	ml/mol	McGowan Calculated Property
Pc	861.50	kPa	Joback Calculated Property
Inp	[2326.00; 2326.00]
Inp	2326.00		NIST
Inp	2326.00		NIST
Tboil	635.52	K	Relay (1.0) Calculated Property
Tc	832.85	K	Relay (1.0) Calculated Property
Tfus	332.88	K	Relay (1.0) Calculated Property
Vc	1.319	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1112.05; 1202.74]	J/mol×K	[850.61; 1041.39]
Cp,gas	1112.05	J/mol×K	850.61	Joback Calculated Property
Cp,gas	1129.60	J/mol×K	882.41	Joback Calculated Property
Cp,gas	1146.09	J/mol×K	914.20	Joback Calculated Property
Cp,gas	1161.57	J/mol×K	946.00	Joback Calculated Property
Cp,gas	1176.13	J/mol×K	977.80	Joback Calculated Property
Cp,gas	1189.83	J/mol×K	1009.59	Joback Calculated Property
Cp,gas	1202.74	J/mol×K	1041.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, pentadecyl 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.