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

InChI

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

InChI Key

GITWMJRPDDNOAY-UHFFFAOYSA-N

Formula

C16H13F8NO6

SMILES

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

Molecular Weight¹

467.26

• 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°	-1798.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-2249.28	kJ/mol	Joback Calculated Property
ΔfusH°	46.66	kJ/mol	Joback Calculated Property
ΔvapH°	78.24	kJ/mol	Joback Calculated Property
log10WS	-5.75		Crippen Calculated Property
logPoct/wat	4.132		Crippen Calculated Property
McVol	259.000	ml/mol	McGowan Calculated Property
Pc	1446.83	kPa	Joback Calculated Property
Inp	[2290.00; 2290.00]
Inp	2290.00		NIST
Inp	2290.00		NIST
Tboil	885.59	K	Joback Calculated Property
Tc	1090.18	K	Joback Calculated Property
Tfus	593.93	K	Joback Calculated Property
Vc	1.058	m3/kmol	Joback 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 Succinic 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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