Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrobenzyl ester

InChI

InChI=1S/C17H15F8NO6/c18-14(19)16(22,23)17(24,25)15(20,21)9-32-13(28)6-2-5-12(27)31-8-10-3-1-4-11(7-10)26(29)30/h1,3-4,7,14H,2,5-6,8-9H2

InChI Key

CJWIVYYHRFQQCL-UHFFFAOYSA-N

Formula

C17H15F8NO6

SMILES

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

Molecular Weight¹

481.29

• 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°	-1789.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-2269.92	kJ/mol	Joback Calculated Property
ΔfusH°	49.25	kJ/mol	Joback Calculated Property
ΔvapH°	80.46	kJ/mol	Joback Calculated Property
log10WS	-6.17		Crippen Calculated Property
logPoct/wat	4.522		Crippen Calculated Property
McVol	273.090	ml/mol	McGowan Calculated Property
Pc	1346.69	kPa	Joback Calculated Property
Inp	[2376.00; 2376.00]
Inp	2376.00		NIST
Inp	2376.00		NIST
Tboil	908.47	K	Joback Calculated Property
Tc	1115.37	K	Joback Calculated Property
Tfus	605.20	K	Joback Calculated Property
Vc	1.115	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[872.95; 921.61]	J/mol×K	[908.47; 1115.37]
Cp,gas	872.95	J/mol×K	908.47	Joback Calculated Property
Cp,gas	882.93	J/mol×K	942.95	Joback Calculated Property
Cp,gas	892.04	J/mol×K	977.44	Joback Calculated Property
Cp,gas	900.39	J/mol×K	1011.92	Joback Calculated Property
Cp,gas	908.04	J/mol×K	1046.40	Joback Calculated Property
Cp,gas	915.09	J/mol×K	1080.89	Joback Calculated Property
Cp,gas	921.61	J/mol×K	1115.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrobenzyl ester.

Sources

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

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