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

InChI

InChI=1S/C16H13F8NO6/c17-13(18)15(21,22)16(23,24)14(19,20)8-30-11(26)6-3-7-12(27)31-10-5-2-1-4-9(10)25(28)29/h1-2,4-5,13H,3,6-8H2

InChI Key

OGJBFRZHXVSFIY-UHFFFAOYSA-N

Formula

C16H13F8NO6

SMILES

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

Molecular Weight¹

467.26

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9744		Relay (... Calculated Property
ΔfG°	-1798.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-2309.95	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.66	kJ/mol	Joback Calculated Property
ΔvapH°	101.21	kJ/mol	Relay (... Calculated Property
IE	9.64	eV	Relay (... Calculated Property
log10WS	-5.98		Relay (... Calculated Property
logPoct/wat	4.385		Crippen Calculated Property
McVol	259.000	ml/mol	McGowan Calculated Property
Pc	1446.83	kPa	Joback Calculated Property
Inp	[2184.00; 2184.00]
Inp	2184.00		NIST
Inp	2184.00		NIST
Tboil	620.64	K	Relay (... Calculated Property
Tc	837.07	K	Relay (... Calculated Property
Tfus	327.59	K	Relay (... Calculated Property
Vc	0.944	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.99; 863.47]	J/mol×K	[885.59; 1090.18]
Cp,gas	816.99	J/mol×K	885.59	Joback Calculated Property
Cp,gas	826.59	J/mol×K	919.69	Joback Calculated Property
Cp,gas	835.34	J/mol×K	953.79	Joback Calculated Property
Cp,gas	843.33	J/mol×K	987.89	Joback Calculated Property
Cp,gas	850.62	J/mol×K	1021.99	Joback Calculated Property
Cp,gas	857.31	J/mol×K	1056.09	Joback Calculated Property
Cp,gas	863.47	J/mol×K	1090.18	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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