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

InChI

InChI=1S/C12H10F6O2/c1-2-5-20-10(19)8-6-7(11(13,14)15)3-4-9(8)12(16,17)18/h3-4,6H,2,5H2,1H3

InChI Key

ORFWPYIFRFMVHX-UHFFFAOYSA-N

Formula

C12H10F6O2

SMILES

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

Molecular Weight¹

300.20

• 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°	-1253.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1516.38	kJ/mol	Joback Calculated Property
ΔfusH°	26.54	kJ/mol	Joback Calculated Property
ΔvapH°	47.57	kJ/mol	Joback Calculated Property
log10WS	-4.76		Crippen Calculated Property
logPoct/wat	4.291		Crippen Calculated Property
McVol	174.240	ml/mol	McGowan Calculated Property
Pc	1966.56	kPa	Joback Calculated Property
Inp	[1200.00; 1200.00]
Inp	1200.00		NIST
Inp	1200.00		NIST
Tboil	576.05	K	Joback Calculated Property
Tc	753.32	K	Joback Calculated Property
Tfus	357.00	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[449.21; 512.50]	J/mol×K	[576.05; 753.32]
Cp,gas	449.21	J/mol×K	576.05	Joback Calculated Property
Cp,gas	461.56	J/mol×K	605.59	Joback Calculated Property
Cp,gas	473.13	J/mol×K	635.14	Joback Calculated Property
Cp,gas	483.98	J/mol×K	664.68	Joback Calculated Property
Cp,gas	494.14	J/mol×K	694.23	Joback Calculated Property
Cp,gas	503.63	J/mol×K	723.77	Joback Calculated Property
Cp,gas	512.50	J/mol×K	753.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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