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

InChI

InChI=1S/C13H12F6O2/c1-2-3-6-21-11(20)9-7-8(12(14,15)16)4-5-10(9)13(17,18)19/h4-5,7H,2-3,6H2,1H3

InChI Key

NDKMOGBAVSCBBB-UHFFFAOYSA-N

Formula

C13H12F6O2

SMILES

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

Molecular Weight¹

314.22

• 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°	-1245.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1537.02	kJ/mol	Joback Calculated Property
ΔfusH°	29.13	kJ/mol	Joback Calculated Property
ΔvapH°	49.79	kJ/mol	Joback Calculated Property
log10WS	-5.18		Crippen Calculated Property
logPoct/wat	4.681		Crippen Calculated Property
McVol	188.330	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[1263.00; 1263.00]
Inp	1263.00		NIST
Inp	1263.00		NIST
Tboil	598.93	K	Joback Calculated Property
Tc	774.85	K	Joback Calculated Property
Tfus	368.27	K	Joback Calculated Property
Vc	0.765	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.87; 564.17]	J/mol×K	[598.93; 774.85]
Cp,gas	497.87	J/mol×K	598.93	Joback Calculated Property
Cp,gas	510.76	J/mol×K	628.25	Joback Calculated Property
Cp,gas	522.86	J/mol×K	657.57	Joback Calculated Property
Cp,gas	534.22	J/mol×K	686.89	Joback Calculated Property
Cp,gas	544.86	J/mol×K	716.21	Joback Calculated Property
Cp,gas	554.84	J/mol×K	745.53	Joback Calculated Property
Cp,gas	564.17	J/mol×K	774.85	Joback Calculated Property

Similar Compounds

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

Sources

• 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.