Chemical Properties of Succinic acid, 3-chlorophenyl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C17H11ClF4O4/c18-10-3-1-4-11(9-10)25-14(23)7-8-15(24)26-13-6-2-5-12(16(13)19)17(20,21)22/h1-6,9H,7-8H2

InChI Key

QAOGCKUCBNQFEX-UHFFFAOYSA-N

Formula

C17H11ClF4O4

SMILES

O=C(CCC(=O)Oc1cccc(C(F)(F)F)c1F)Oc1cccc(Cl)c1

Molecular Weight¹

390.71

• 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°	-967.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1254.09	kJ/mol	Joback Calculated Property
ΔfusH°	41.38	kJ/mol	Joback Calculated Property
ΔvapH°	78.11	kJ/mol	Joback Calculated Property
log10WS	-5.87		Crippen Calculated Property
logPoct/wat	4.789		Crippen Calculated Property
McVol	237.070	ml/mol	McGowan Calculated Property
Pc	1827.85	kPa	Joback Calculated Property
Inp	[2306.00; 2306.00]
Inp	2306.00		NIST
Inp	2306.00		NIST
Tboil	840.52	K	Joback Calculated Property
Tc	1056.07	K	Joback Calculated Property
Tfus	550.77	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[664.33; 712.76]	J/mol×K	[840.52; 1056.07]
Cp,gas	664.33	J/mol×K	840.52	Joback Calculated Property
Cp,gas	674.75	J/mol×K	876.44	Joback Calculated Property
Cp,gas	684.18	J/mol×K	912.37	Joback Calculated Property
Cp,gas	692.66	J/mol×K	948.29	Joback Calculated Property
Cp,gas	700.22	J/mol×K	984.22	Joback Calculated Property
Cp,gas	706.91	J/mol×K	1020.14	Joback Calculated Property
Cp,gas	712.76	J/mol×K	1056.07	Joback Calculated Property

Similar Compounds

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

Sources

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

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