Chemical Properties of Glutaric acid, di(2-fluoro-5-nitrobenzyl) ester

InChI

InChI=1S/C19H16F2N2O8/c20-16-6-4-14(22(26)27)8-12(16)10-30-18(24)2-1-3-19(25)31-11-13-9-15(23(28)29)5-7-17(13)21/h4-9H,1-3,10-11H2

InChI Key

XBZZQOLIZZMTPT-UHFFFAOYSA-N

Formula

C19H16F2N2O8

SMILES

O=C(CCCC(=O)OCc1cc([N+](=O)[O-])ccc1F)OCc1cc([N+](=O)[O-])ccc1F

Molecular Weight¹

438.34

• 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°	-490.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-911.65	kJ/mol	Joback Calculated Property
ΔfusH°	65.95	kJ/mol	Joback Calculated Property
ΔvapH°	114.95	kJ/mol	Joback Calculated Property
log10WS	-6.66		Crippen Calculated Property
logPoct/wat	3.738		Crippen Calculated Property
McVol	284.310	ml/mol	McGowan Calculated Property
Pc	1716.03	kPa	Joback Calculated Property
Inp	[2320.00; 2320.00]
Inp	2320.00		NIST
Inp	2320.00		NIST
Tboil	1162.20	K	Joback Calculated Property
Tc	1424.85	K	Joback Calculated Property
Tfus	839.53	K	Joback Calculated Property
Vc	1.131	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[901.10; 908.27]	J/mol×K	[1162.20; 1424.85]
T(K) Ideal gas heat capacity (J/mol×K) 901 902 903 904 905 906 907 908 1200 1300 1400
Cp,gas	901.10	J/mol×K	1162.20	Joback Calculated Property
Cp,gas	905.05	J/mol×K	1205.98	Joback Calculated Property
Cp,gas	907.42	J/mol×K	1249.75	Joback Calculated Property
Cp,gas	908.27	J/mol×K	1293.53	Joback Calculated Property
Cp,gas	907.64	J/mol×K	1337.30	Joback Calculated Property
Cp,gas	905.56	J/mol×K	1381.08	Joback Calculated Property
Cp,gas	902.09	J/mol×K	1424.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-fluoro-5-nitrobenzyl) ester.

Sources

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

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