Chemical Properties of Succinic acid, butyl 4-chloro-2-nitrobenzyl ester

InChI

InChI=1S/C15H18ClNO6/c1-2-3-8-22-14(18)6-7-15(19)23-10-11-4-5-12(16)9-13(11)17(20)21/h4-5,9H,2-3,6-8,10H2,1H3

InChI Key

AVLFGZXCMKLHHJ-UHFFFAOYSA-N

Formula

C15H18ClNO6

SMILES

CCCCOC(=O)CCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-]

Molecular Weight¹

343.76

• 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	0.9222		Relay (1.0) Calculated Property
ΔfG°	-275.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-750.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.00	kJ/mol	Joback Calculated Property
ΔvapH°	102.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-4.61		Relay (1.0) Calculated Property
logPoct/wat	3.415		Crippen Calculated Property
McVol	242.990	ml/mol	McGowan Calculated Property
Pc	1906.90	kPa	Joback Calculated Property
Inp	[2442.00; 2442.00]
Inp	2442.00		NIST
Inp	2442.00		NIST
Tboil	634.81	K	Relay (1.0) Calculated Property
Tc	870.76	K	Relay (1.0) Calculated Property
Tfus	301.18	K	Relay (1.0) Calculated Property
Vc	0.874	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.52; 763.71]	J/mol×K	[921.09; 1149.20]
Cp,gas	717.52	J/mol×K	921.09	Joback Calculated Property
Cp,gas	728.07	J/mol×K	959.11	Joback Calculated Property
Cp,gas	737.46	J/mol×K	997.13	Joback Calculated Property
Cp,gas	745.71	J/mol×K	1035.15	Joback Calculated Property
Cp,gas	752.82	J/mol×K	1073.16	Joback Calculated Property
Cp,gas	758.81	J/mol×K	1111.18	Joback Calculated Property
Cp,gas	763.71	J/mol×K	1149.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 4-chloro-2-nitrobenzyl ester.

Sources

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

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