Chemical Properties of Succinic acid, 2-fluorophenyl 3-methoxyphenyl ester

InChI

InChI=1S/C17H15FO5/c1-21-12-5-4-6-13(11-12)22-16(19)9-10-17(20)23-15-8-3-2-7-14(15)18/h2-8,11H,9-10H2,1H3

InChI Key

VQWMFRFVLPUNJG-UHFFFAOYSA-N

Formula

C17H15FO5

SMILES

COc1cccc(OC(=O)CCC(=O)Oc2ccccc2F)c1

Molecular Weight¹

318.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.10	kJ/mol	Joback Calculated Property
ΔvapH°	105.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
logPoct/wat	3.125		Crippen Calculated Property
McVol	225.390	ml/mol	McGowan Calculated Property
Inp	[2471.00; 2471.00]
Inp	2471.00		NIST
Inp	2471.00		NIST
Tboil	637.92	K	Relay (1.0) Calculated Property
Tfus	343.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[637.43; 696.56]	J/mol×K	[790.01; 1008.87]
Cp,gas	637.43	J/mol×K	790.01	Joback Calculated Property
Cp,gas	650.41	J/mol×K	826.49	Joback Calculated Property
Cp,gas	662.13	J/mol×K	862.96	Joback Calculated Property
Cp,gas	672.60	J/mol×K	899.44	Joback Calculated Property
Cp,gas	681.82	J/mol×K	935.92	Joback Calculated Property
Cp,gas	689.80	J/mol×K	972.40	Joback Calculated Property
Cp,gas	696.56	J/mol×K	1008.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 3-methoxyphenyl 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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