Chemical Properties of Succinic acid, 3-chloro-2-nitrobenzyl isobutyl ester

InChI

InChI=1S/C15H18ClNO6/c1-10(2)8-22-13(18)6-7-14(19)23-9-11-4-3-5-12(16)15(11)17(20)21/h3-5,10H,6-9H2,1-2H3

InChI Key

IPIMMASUBRHOJF-UHFFFAOYSA-N

Formula

C15H18ClNO6

SMILES

CC(C)COC(=O)CCC(=O)OCc1cccc(Cl)c1[N+](=O)[O-]

Molecular Weight¹

343.76

• 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°	-278.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-660.72	kJ/mol	Joback Calculated Property
ΔfusH°	45.48	kJ/mol	Joback Calculated Property
ΔvapH°	91.48	kJ/mol	Joback Calculated Property
log10WS	-4.52		Crippen Calculated Property
logPoct/wat	3.271		Crippen Calculated Property
McVol	242.990	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[2382.00; 2382.00]
Inp	2382.00		NIST
Inp	2382.00		NIST
Tboil	920.65	K	Joback Calculated Property
Tc	1151.32	K	Joback Calculated Property
Tfus	613.12	K	Joback Calculated Property
Vc	0.941	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.06; 764.08]	J/mol×K	[920.65; 1151.32]
Cp,gas	718.06	J/mol×K	920.65	Joback Calculated Property
Cp,gas	728.68	J/mol×K	959.10	Joback Calculated Property
Cp,gas	738.10	J/mol×K	997.54	Joback Calculated Property
Cp,gas	746.34	J/mol×K	1035.99	Joback Calculated Property
Cp,gas	753.40	J/mol×K	1074.43	Joback Calculated Property
Cp,gas	759.31	J/mol×K	1112.88	Joback Calculated Property
Cp,gas	764.08	J/mol×K	1151.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chloro-2-nitrobenzyl isobutyl ester.

Sources

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

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