Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C17H10ClF5O4/c18-10-4-2-5-11(19)16(10)27-14(25)8-7-13(24)26-12-6-1-3-9(15(12)20)17(21,22)23/h1-6H,7-8H2

InChI Key

XQEWRVKXKJTJDD-UHFFFAOYSA-N

Formula

C17H10ClF5O4

SMILES

O=C(CCC(=O)Oc1c(F)cccc1Cl)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

408.70

• 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°	-1172.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1461.67	kJ/mol	Joback Calculated Property
ΔfusH°	44.07	kJ/mol	Joback Calculated Property
ΔvapH°	77.95	kJ/mol	Joback Calculated Property
log10WS	-6.20		Crippen Calculated Property
logPoct/wat	4.928		Crippen Calculated Property
McVol	238.840	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[2256.00; 2256.00]
Inp	2256.00		NIST
Inp	2256.00		NIST
Tboil	844.77	K	Joback Calculated Property
Tc	1055.20	K	Joback Calculated Property
Tfus	563.88	K	Joback Calculated Property
Vc	0.948	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.21; 716.40]	J/mol×K	[844.77; 1055.20]
Cp,gas	670.21	J/mol×K	844.77	Joback Calculated Property
Cp,gas	680.16	J/mol×K	879.84	Joback Calculated Property
Cp,gas	689.17	J/mol×K	914.91	Joback Calculated Property
Cp,gas	697.26	J/mol×K	949.99	Joback Calculated Property
Cp,gas	704.48	J/mol×K	985.06	Joback Calculated Property
Cp,gas	710.85	J/mol×K	1020.13	Joback Calculated Property
Cp,gas	716.40	J/mol×K	1055.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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