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

InChI

InChI=1S/C15H18FNO6/c1-10(2)8-22-14(18)5-6-15(19)23-9-11-7-12(17(20)21)3-4-13(11)16/h3-4,7,10H,5-6,8-9H2,1-2H3

InChI Key

WDEMZHJCHTYCBY-UHFFFAOYSA-N

Formula

C15H18FNO6

SMILES

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

Molecular Weight¹

327.30

• 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°	-460.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-841.09	kJ/mol	Joback Calculated Property
ΔfusH°	44.36	kJ/mol	Joback Calculated Property
ΔvapH°	86.28	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen Calculated Property
logPoct/wat	2.756		Crippen Calculated Property
McVol	232.520	ml/mol	McGowan Calculated Property
Pc	1906.90	kPa	Joback Calculated Property
Inp	[2275.00; 2275.00]
Inp	2275.00		NIST
Inp	2275.00		NIST
Tboil	882.49	K	Joback Calculated Property
Tc	1103.39	K	Joback Calculated Property
Tfus	583.79	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.70; 756.98]	J/mol×K	[882.49; 1103.39]
Cp,gas	704.70	J/mol×K	882.49	Joback Calculated Property
Cp,gas	716.20	J/mol×K	919.31	Joback Calculated Property
Cp,gas	726.57	J/mol×K	956.12	Joback Calculated Property
Cp,gas	735.82	J/mol×K	992.94	Joback Calculated Property
Cp,gas	743.96	J/mol×K	1029.75	Joback Calculated Property
Cp,gas	751.01	J/mol×K	1066.57	Joback Calculated Property
Cp,gas	756.98	J/mol×K	1103.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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