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

InChI

InChI=1S/C18H17FO4/c1-12-6-5-9-15(13(12)2)22-17(20)10-11-18(21)23-16-8-4-3-7-14(16)19/h3-9H,10-11H2,1-2H3

InChI Key

IIUMDBXSGZFGPW-UHFFFAOYSA-N

Formula

C18H17FO4

SMILES

Cc1cccc(OC(=O)CCC(=O)Oc2ccccc2F)c1C

Molecular Weight¹

316.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.11	kJ/mol	Joback Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
logPoct/wat	3.734		Crippen Calculated Property
McVol	233.610	ml/mol	McGowan Calculated Property
Inp	[2411.00; 2411.00]
Inp	2411.00		NIST
Inp	2411.00		NIST
Tboil	624.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[664.67; 727.90]	J/mol×K	[795.45; 1014.22]
Cp,gas	664.67	J/mol×K	795.45	Joback Calculated Property
Cp,gas	678.24	J/mol×K	831.91	Joback Calculated Property
Cp,gas	690.58	J/mol×K	868.37	Joback Calculated Property
Cp,gas	701.69	J/mol×K	904.83	Joback Calculated Property
Cp,gas	711.60	J/mol×K	941.30	Joback Calculated Property
Cp,gas	720.33	J/mol×K	977.76	Joback Calculated Property
Cp,gas	727.90	J/mol×K	1014.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 2,3-dimethylphenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.