Chemical Properties of Succinic acid, 3-chlorophenyl 2-fluoroethyl ester

InChI

InChI=1S/C12H12ClFO4/c13-9-2-1-3-10(8-9)18-12(16)5-4-11(15)17-7-6-14/h1-3,8H,4-7H2

InChI Key

LJEYTRNHKVESAT-UHFFFAOYSA-N

Formula

C12H12ClFO4

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1)OCCF

Molecular Weight¹

274.67

• 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°	-521.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-767.40	kJ/mol	Joback Calculated Property
ΔfusH°	33.34	kJ/mol	Joback Calculated Property
ΔvapH°	67.12	kJ/mol	Joback Calculated Property
log10WS	-2.86		Crippen Calculated Property
logPoct/wat	2.538		Crippen Calculated Property
McVol	185.070	ml/mol	McGowan Calculated Property
Pc	2393.53	kPa	Joback Calculated Property
Inp	[1983.00; 1983.00]
Inp	1983.00		NIST
Inp	1983.00		NIST
Tboil	694.90	K	Joback Calculated Property
Tc	901.44	K	Joback Calculated Property
Tfus	438.77	K	Joback Calculated Property
Vc	0.715	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.38; 528.62]	J/mol×K	[694.90; 901.44]
Cp,gas	469.38	J/mol×K	694.90	Joback Calculated Property
Cp,gas	481.18	J/mol×K	729.32	Joback Calculated Property
Cp,gas	492.21	J/mol×K	763.75	Joback Calculated Property
Cp,gas	502.46	J/mol×K	798.17	Joback Calculated Property
Cp,gas	511.94	J/mol×K	832.59	Joback Calculated Property
Cp,gas	520.66	J/mol×K	867.01	Joback Calculated Property
Cp,gas	528.62	J/mol×K	901.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl 2-fluoroethyl ester.

Sources

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

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