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

InChI

InChI=1S/C13H14FNO6/c1-2-20-12(16)5-6-13(17)21-8-9-7-10(15(18)19)3-4-11(9)14/h3-4,7H,2,5-6,8H2,1H3

InChI Key

VNUDLHCCOSVCDW-UHFFFAOYSA-N

Formula

C13H14FNO6

SMILES

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

Molecular Weight¹

299.25

• 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°	-475.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-794.53	kJ/mol	Joback Calculated Property
ΔfusH°	42.70	kJ/mol	Joback Calculated Property
ΔvapH°	82.22	kJ/mol	Joback Calculated Property
log10WS	-3.57		Crippen Calculated Property
logPoct/wat	2.120		Crippen Calculated Property
McVol	204.340	ml/mol	McGowan Calculated Property
Pc	2254.67	kPa	Joback Calculated Property
Inp	[2124.00; 2124.00]
Inp	2124.00		NIST
Inp	2124.00		NIST
Tboil	837.17	K	Joback Calculated Property
Tc	1058.48	K	Joback Calculated Property
Tfus	576.25	K	Joback Calculated Property
Vc	0.803	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.28; 643.53]	J/mol×K	[837.17; 1058.48]
Cp,gas	593.28	J/mol×K	837.17	Joback Calculated Property
Cp,gas	604.16	J/mol×K	874.05	Joback Calculated Property
Cp,gas	614.04	J/mol×K	910.94	Joback Calculated Property
Cp,gas	622.91	J/mol×K	947.82	Joback Calculated Property
Cp,gas	630.77	J/mol×K	984.71	Joback Calculated Property
Cp,gas	637.65	J/mol×K	1021.59	Joback Calculated Property
Cp,gas	643.53	J/mol×K	1058.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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