Chemical Properties of Succinic acid, 2-fluoro-5-nitrobenzyl undecyl ester

InChI

InChI=1S/C22H32FNO6/c1-2-3-4-5-6-7-8-9-10-15-29-21(25)13-14-22(26)30-17-18-16-19(24(27)28)11-12-20(18)23/h11-12,16H,2-10,13-15,17H2,1H3

InChI Key

ZJJUVAVMVHDQOI-UHFFFAOYSA-N

Formula

C22H32FNO6

SMILES

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

Molecular Weight¹

425.49

• 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°	-399.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-980.29	kJ/mol	Joback Calculated Property
ΔfusH°	66.01	kJ/mol	Joback Calculated Property
ΔvapH°	102.25	kJ/mol	Joback Calculated Property
log10WS	-7.34		Crippen Calculated Property
logPoct/wat	5.631		Crippen Calculated Property
McVol	331.150	ml/mol	McGowan Calculated Property
Pc	1133.67	kPa	Joback Calculated Property
Inp	[3013.00; 3013.00]
Inp	3013.00		NIST
Inp	3013.00		NIST
Tboil	1043.09	K	Joback Calculated Property
Tc	1277.17	K	Joback Calculated Property
Tfus	677.68	K	Joback Calculated Property
Vc	1.308	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1113.70; 1166.63]	J/mol×K	[1043.09; 1277.17]
Cp,gas	1113.70	J/mol×K	1043.09	Joback Calculated Property
Cp,gas	1126.20	J/mol×K	1082.10	Joback Calculated Property
Cp,gas	1137.17	J/mol×K	1121.12	Joback Calculated Property
Cp,gas	1146.66	J/mol×K	1160.13	Joback Calculated Property
Cp,gas	1154.70	J/mol×K	1199.14	Joback Calculated Property
Cp,gas	1161.34	J/mol×K	1238.15	Joback Calculated Property
Cp,gas	1166.63	J/mol×K	1277.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-5-nitrobenzyl undecyl ester.

Sources

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

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