Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C14H11F7O4/c1-7(13(16,17)18)24-10(22)5-6-11(23)25-9-4-2-3-8(12(9)15)14(19,20)21/h2-4,7H,5-6H2,1H3

InChI Key

XELNBIQJRSDBDV-UHFFFAOYSA-N

Formula

C14H11F7O4

SMILES

CC(OC(=O)CCC(=O)Oc1cccc(C(F)(F)F)c1F)C(F)(F)F

Molecular Weight¹

376.22

• 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°	-1668.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-2003.85	kJ/mol	Joback Calculated Property
ΔfusH°	34.06	kJ/mol	Joback Calculated Property
ΔvapH°	59.97	kJ/mol	Joback Calculated Property
log10WS	-4.95		Crippen Calculated Property
logPoct/wat	4.024		Crippen Calculated Property
McVol	211.630	ml/mol	McGowan Calculated Property
Pc	1682.41	kPa	Joback Calculated Property
Inp	[1565.00; 1565.00]
Inp	1565.00		NIST
Inp	1565.00		NIST
Tboil	696.93	K	Joback Calculated Property
Tc	876.10	K	Joback Calculated Property
Tfus	437.29	K	Joback Calculated Property
Vc	0.858	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.48; 658.41]	J/mol×K	[696.93; 876.10]
Cp,gas	600.48	J/mol×K	696.93	Joback Calculated Property
Cp,gas	611.96	J/mol×K	726.79	Joback Calculated Property
Cp,gas	622.67	J/mol×K	756.65	Joback Calculated Property
Cp,gas	632.64	J/mol×K	786.52	Joback Calculated Property
Cp,gas	641.90	J/mol×K	816.38	Joback Calculated Property
Cp,gas	650.48	J/mol×K	846.24	Joback Calculated Property
Cp,gas	658.41	J/mol×K	876.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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