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

InChI

InChI=1S/C18H16ClFO4/c19-14-7-4-8-15(20)18(14)24-17(22)10-9-16(21)23-12-11-13-5-2-1-3-6-13/h1-8H,9-12H2

InChI Key

NNKHYVOTLUDOHV-UHFFFAOYSA-N

Formula

C18H16ClFO4

SMILES

O=C(CCC(=O)Oc1c(F)cccc1Cl)OCCc1ccccc1

Molecular Weight¹

350.77

• 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°	-368.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-666.18	kJ/mol	Joback Calculated Property
ΔfusH°	42.53	kJ/mol	Joback Calculated Property
ΔvapH°	83.42	kJ/mol	Joback Calculated Property
log10WS	-4.95		Crippen Calculated Property
logPoct/wat	3.951		Crippen Calculated Property
McVol	245.850	ml/mol	McGowan Calculated Property
Pc	1883.80	kPa	Joback Calculated Property
Inp	[2538.00; 2538.00]
Inp	2538.00		NIST
Inp	2538.00		NIST
Tboil	863.84	K	Joback Calculated Property
Tc	1088.74	K	Joback Calculated Property
Tfus	545.33	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.25; 752.13]	J/mol×K	[863.84; 1088.74]
Cp,gas	697.25	J/mol×K	863.84	Joback Calculated Property
Cp,gas	709.22	J/mol×K	901.32	Joback Calculated Property
Cp,gas	720.01	J/mol×K	938.81	Joback Calculated Property
Cp,gas	729.68	J/mol×K	976.29	Joback Calculated Property
Cp,gas	738.23	J/mol×K	1013.78	Joback Calculated Property
Cp,gas	745.71	J/mol×K	1051.26	Joback Calculated Property
Cp,gas	752.13	J/mol×K	1088.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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