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

InChI

InChI=1S/C18H14F2N2O8/c19-15-3-1-13(21(25)26)7-11(15)9-29-17(23)5-6-18(24)30-10-12-8-14(22(27)28)2-4-16(12)20/h1-4,7-8H,5-6,9-10H2

InChI Key

QAKCIUIJURYERK-UHFFFAOYSA-N

Formula

C18H14F2N2O8

SMILES

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

Molecular Weight¹

424.31

• 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°	-499.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-891.01	kJ/mol	Joback Calculated Property
ΔfusH°	63.36	kJ/mol	Joback Calculated Property
ΔvapH°	112.72	kJ/mol	Joback Calculated Property
log10WS	-6.24		Crippen Calculated Property
logPoct/wat	3.348		Crippen Calculated Property
McVol	270.220	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[3144.00; 3144.00]
Inp	3144.00		NIST
Inp	3144.00		NIST
Tboil	1139.32	K	Joback Calculated Property
Tc	1399.61	K	Joback Calculated Property
Tfus	828.26	K	Joback Calculated Property
Vc	1.075	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[844.08; 851.63]	J/mol×K	[1139.32; 1399.61]
Cp,gas	844.08	J/mol×K	1139.32	Joback Calculated Property
Cp,gas	848.10	J/mol×K	1182.70	Joback Calculated Property
Cp,gas	850.61	J/mol×K	1226.08	Joback Calculated Property
Cp,gas	851.63	J/mol×K	1269.46	Joback Calculated Property
Cp,gas	851.20	J/mol×K	1312.84	Joback Calculated Property
Cp,gas	849.36	J/mol×K	1356.23	Joback Calculated Property
Cp,gas	846.15	J/mol×K	1399.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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