Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl 3-nitrobenzyl ester

InChI

InChI=1S/C14H13F4NO6/c15-13(16)14(17,18)8-25-12(21)5-4-11(20)24-7-9-2-1-3-10(6-9)19(22)23/h1-3,6,13H,4-5,7-8H2

InChI Key

FQTVEUWYOIOYMZ-UHFFFAOYSA-N

Formula

C14H13F4NO6

SMILES

O=C(CCC(=O)OCC(F)(F)C(F)F)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

367.25

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.15	kJ/mol	Joback Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
logPoct/wat	2.862		Crippen Calculated Property
McVol	223.740	ml/mol	McGowan Calculated Property
Inp	[2219.00; 2219.00]
Inp	2219.00		NIST
Inp	2219.00		NIST
Tboil	604.55	K	Relay (1.0) Calculated Property
Tfus	325.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[667.88; 715.88]	J/mol×K	[813.27; 1019.47]
Cp,gas	667.88	J/mol×K	813.27	Joback Calculated Property
Cp,gas	678.33	J/mol×K	847.64	Joback Calculated Property
Cp,gas	687.75	J/mol×K	882.00	Joback Calculated Property
Cp,gas	696.18	J/mol×K	916.37	Joback Calculated Property
Cp,gas	703.65	J/mol×K	950.74	Joback Calculated Property
Cp,gas	710.21	J/mol×K	985.11	Joback Calculated Property
Cp,gas	715.88	J/mol×K	1019.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl 3-nitrobenzyl 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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