Chemical Properties of Succinic acid, butyl 4-fluoro-3-nitrobenzyl ester

InChI

InChI=1S/C15H18FNO6/c1-2-3-8-22-14(18)6-7-15(19)23-10-11-4-5-12(16)13(9-11)17(20)21/h4-5,9H,2-3,6-8,10H2,1H3

InChI Key

KWECPRPYJKFPFS-UHFFFAOYSA-N

Formula

C15H18FNO6

SMILES

CCCCOC(=O)CCC(=O)OCc1ccc(F)c([N+](=O)[O-])c1

Molecular Weight¹

327.30

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9196		Relay (1.0) Calculated Property
ΔfG°	-458.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-909.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.88	kJ/mol	Joback Calculated Property
ΔvapH°	97.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	2.901		Crippen Calculated Property
McVol	232.520	ml/mol	McGowan Calculated Property
Pc	1893.65	kPa	Joback Calculated Property
Inp	[2352.00; 2352.00]
Inp	2352.00		NIST
Inp	2352.00		NIST
Tboil	613.14	K	Relay (1.0) Calculated Property
Tc	847.65	K	Relay (1.0) Calculated Property
Tfus	290.30	K	Relay (1.0) Calculated Property
Vc	0.848	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.14; 756.39]	J/mol×K	[882.93; 1101.39]
Cp,gas	704.14	J/mol×K	882.93	Joback Calculated Property
Cp,gas	715.54	J/mol×K	919.34	Joback Calculated Property
Cp,gas	725.85	J/mol×K	955.75	Joback Calculated Property
Cp,gas	735.08	J/mol×K	992.16	Joback Calculated Property
Cp,gas	743.24	J/mol×K	1028.57	Joback Calculated Property
Cp,gas	750.34	J/mol×K	1064.98	Joback Calculated Property
Cp,gas	756.39	J/mol×K	1101.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 4-fluoro-3-nitrobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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