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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.34	kJ/mol	Joback Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	2.538		Crippen Calculated Property
McVol	185.070	ml/mol	McGowan Calculated Property
Inp	[1983.00; 1983.00]
Inp	1983.00		NIST
Inp	1983.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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