Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-nitrophenyl ester

InChI

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

InChI Key

MCOURDCQJUNWRI-UHFFFAOYSA-N

Formula

C14H13F4NO6

SMILES

O=C(CCCC(=O)Oc1ccccc1[N+](=O)[O-])OCC(F)(F)C(F)F

Molecular Weight¹

367.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.99	kJ/mol	Joback Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	3.114		Crippen Calculated Property
McVol	223.740	ml/mol	McGowan Calculated Property
Inp	[2108.00; 2108.00]
Inp	2108.00		NIST
Inp	2108.00		NIST
Tboil	604.00	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, Ionization energy 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	[674.23; 722.03]	J/mol×K	[849.21; 1059.85]
Cp,gas	674.23	J/mol×K	849.21	Joback Calculated Property
Cp,gas	684.45	J/mol×K	884.32	Joback Calculated Property
Cp,gas	693.72	J/mol×K	919.42	Joback Calculated Property
Cp,gas	702.07	J/mol×K	954.53	Joback Calculated Property
Cp,gas	709.55	J/mol×K	989.64	Joback Calculated Property
Cp,gas	716.19	J/mol×K	1024.74	Joback Calculated Property
Cp,gas	722.03	J/mol×K	1059.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-nitrophenyl 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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