Chemical Properties of Succinic acid, 2-methylphenyl pentafluorobenzyl ester

InChI

InChI=1S/C18H13F5O4/c1-9-4-2-3-5-11(9)27-13(25)7-6-12(24)26-8-10-14(19)16(21)18(23)17(22)15(10)20/h2-5H,6-8H2,1H3

InChI Key

JSHPWMWQVGZDRX-UHFFFAOYSA-N

Formula

C18H13F5O4

SMILES

Cc1ccccc1OC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

388.29

• 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°	49.10	kJ/mol	Joback Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
logPoct/wat	4.120		Crippen Calculated Property
McVol	240.690	ml/mol	McGowan Calculated Property
Inp	[2231.00; 2231.00]
Inp	2231.00		NIST
Inp	2231.00		NIST
Tboil	621.14	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	[699.14; 751.88]	J/mol×K	[843.41; 1045.21]
Cp,gas	699.14	J/mol×K	843.41	Joback Calculated Property
Cp,gas	710.33	J/mol×K	877.04	Joback Calculated Property
Cp,gas	720.56	J/mol×K	910.68	Joback Calculated Property
Cp,gas	729.83	J/mol×K	944.31	Joback Calculated Property
Cp,gas	738.14	J/mol×K	977.95	Joback Calculated Property
Cp,gas	745.48	J/mol×K	1011.58	Joback Calculated Property
Cp,gas	751.88	J/mol×K	1045.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylphenyl pentafluorobenzyl 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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