Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl pentafluorobenzyl ester

InChI

InChI=1S/C18H12ClF5O4/c1-8-6-9(2-3-11(8)19)28-13(26)5-4-12(25)27-7-10-14(20)16(22)18(24)17(23)15(10)21/h2-3,6H,4-5,7H2,1H3

InChI Key

FOAVMNZUCOBSSC-UHFFFAOYSA-N

Formula

C18H12ClF5O4

SMILES

Cc1cc(OC(=O)CCC(=O)OCc2c(F)c(F)c(F)c(F)c2F)ccc1Cl

Molecular Weight¹

422.73

• 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°	-1195.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1507.97	kJ/mol	Joback Calculated Property
ΔfusH°	52.91	kJ/mol	Joback Calculated Property
ΔvapH°	83.46	kJ/mol	Joback Calculated Property
log10WS	-6.83		Crippen Calculated Property
logPoct/wat	4.773		Crippen Calculated Property
McVol	252.930	ml/mol	McGowan Calculated Property
Pc	1527.07	kPa	Joback Calculated Property
Inp	[2463.00; 2463.00]
Inp	2463.00		NIST
Inp	2463.00		NIST
Tboil	885.82	K	Joback Calculated Property
Tc	1093.67	K	Joback Calculated Property
Tfus	610.29	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.15; 763.94]	J/mol×K	[885.82; 1093.67]
Cp,gas	719.15	J/mol×K	885.82	Joback Calculated Property
Cp,gas	729.15	J/mol×K	920.46	Joback Calculated Property
Cp,gas	738.15	J/mol×K	955.10	Joback Calculated Property
Cp,gas	746.13	J/mol×K	989.75	Joback Calculated Property
Cp,gas	753.09	J/mol×K	1024.39	Joback Calculated Property
Cp,gas	759.03	J/mol×K	1059.03	Joback Calculated Property
Cp,gas	763.94	J/mol×K	1093.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl pentafluorobenzyl ester.

Sources

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

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