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

• 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).
• 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
ΔfG°	-1152.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1764.06	kJ/mol	Joback Calculated Property
ΔfusH°	57.62	kJ/mol	Joback Calculated Property
ΔvapH°	74.28	kJ/mol	Joback Calculated Property
log10WS	-9.78		Crippen 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	850.61	K	Joback Calculated Property
Tc	1041.39	K	Joback Calculated Property
Tfus	492.24	K	Joback Calculated Property
Vc	1.381	m3/kmol	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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