Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 4-chlorobenzyl ester

InChI

InChI=1S/C17H13Cl2FO4/c18-12-6-4-11(5-7-12)10-23-15(21)8-9-16(22)24-17-13(19)2-1-3-14(17)20/h1-7H,8-10H2

InChI Key

NFADHHDCZZMIMN-UHFFFAOYSA-N

Formula

C17H13Cl2FO4

SMILES

O=C(CCC(=O)Oc1c(F)cccc1Cl)OCc1ccc(Cl)cc1

Molecular Weight¹

371.19

• 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°	-398.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-672.75	kJ/mol	Joback Calculated Property
ΔfusH°	43.75	kJ/mol	Joback Calculated Property
ΔvapH°	86.24	kJ/mol	Joback Calculated Property
log10WS	-5.72		Crippen Calculated Property
logPoct/wat	4.561		Crippen Calculated Property
McVol	244.000	ml/mol	McGowan Calculated Property
Pc	1957.87	kPa	Joback Calculated Property
Inp	[2659.00; 2659.00]
Inp	2659.00		NIST
Inp	2659.00		NIST
Tboil	883.37	K	Joback Calculated Property
Tc	1114.35	K	Joback Calculated Property
Tfus	576.50	K	Joback Calculated Property
Vc	0.935	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.94; 706.44]	J/mol×K	[883.37; 1114.35]
Cp,gas	660.94	J/mol×K	883.37	Joback Calculated Property
Cp,gas	671.30	J/mol×K	921.87	Joback Calculated Property
Cp,gas	680.53	J/mol×K	960.36	Joback Calculated Property
Cp,gas	688.63	J/mol×K	998.86	Joback Calculated Property
Cp,gas	695.64	J/mol×K	1037.36	Joback Calculated Property
Cp,gas	701.57	J/mol×K	1075.86	Joback Calculated Property
Cp,gas	706.44	J/mol×K	1114.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 4-chlorobenzyl ester.

Sources

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

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