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

InChI

InChI=1S/C15H15F4NO6/c16-14(17)15(18,19)9-26-13(22)6-2-5-12(21)25-8-10-3-1-4-11(7-10)20(23)24/h1,3-4,7,14H,2,5-6,8-9H2

InChI Key

VNMCKXNEUTYEFV-UHFFFAOYSA-N

Formula

C15H15F4NO6

SMILES

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

Molecular Weight¹

381.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1032.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1426.70	kJ/mol	Joback Calculated Property
ΔfusH°	46.58	kJ/mol	Joback Calculated Property
ΔvapH°	81.87	kJ/mol	Joback Calculated Property
log10WS	-4.70		Crippen Calculated Property
logPoct/wat	3.252		Crippen Calculated Property
McVol	237.830	ml/mol	McGowan Calculated Property
Pc	1749.21	kPa	Joback Calculated Property
Inp	[2305.00; 2305.00]
Inp	2305.00		NIST
Inp	2305.00		NIST
Tboil	872.09	K	Joback Calculated Property
Tc	1082.52	K	Joback Calculated Property
Tfus	575.46	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[729.46; 778.66]	J/mol×K	[872.09; 1082.52]
Cp,gas	729.46	J/mol×K	872.09	Joback Calculated Property
Cp,gas	739.97	J/mol×K	907.16	Joback Calculated Property
Cp,gas	749.51	J/mol×K	942.23	Joback Calculated Property
Cp,gas	758.10	J/mol×K	977.30	Joback Calculated Property
Cp,gas	765.80	J/mol×K	1012.38	Joback Calculated Property
Cp,gas	772.64	J/mol×K	1047.45	Joback Calculated Property
Cp,gas	778.66	J/mol×K	1082.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-nitrobenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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