Chemical Properties of Succinic acid, decyl 4-methoxy-3-nitrobenzyl ester

InChI

InChI=1S/C22H33NO7/c1-3-4-5-6-7-8-9-10-15-29-21(24)13-14-22(25)30-17-18-11-12-20(28-2)19(16-18)23(26)27/h11-12,16H,3-10,13-15,17H2,1-2H3

InChI Key

AMJVPEKIFIEPFQ-UHFFFAOYSA-N

Formula

C22H33NO7

SMILES

CCCCCCCCCCOC(=O)CCC(=O)OCc1ccc(OC)c([N+](=O)[O-])c1

Molecular Weight¹

423.50

• 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°	-309.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-916.40	kJ/mol	Joback Calculated Property
ΔfusH°	64.12	kJ/mol	Joback Calculated Property
ΔvapH°	105.48	kJ/mol	Joback Calculated Property
log10WS	-6.71		Crippen Calculated Property
logPoct/wat	5.111		Crippen Calculated Property
McVol	335.250	ml/mol	McGowan Calculated Property
Pc	1155.35	kPa	Joback Calculated Property
Inp	[3212.00; 3212.00]
Inp	3212.00		NIST
Inp	3212.00		NIST
Tboil	1066.24	K	Joback Calculated Property
Tc	1305.54	K	Joback Calculated Property
Tfus	699.32	K	Joback Calculated Property
Vc	1.308	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1132.39; 1173.91]	J/mol×K	[1066.24; 1305.54]
Cp,gas	1132.39	J/mol×K	1066.24	Joback Calculated Property
Cp,gas	1143.74	J/mol×K	1106.12	Joback Calculated Property
Cp,gas	1153.28	J/mol×K	1146.01	Joback Calculated Property
Cp,gas	1161.05	J/mol×K	1185.89	Joback Calculated Property
Cp,gas	1167.06	J/mol×K	1225.77	Joback Calculated Property
Cp,gas	1171.34	J/mol×K	1265.66	Joback Calculated Property
Cp,gas	1173.91	J/mol×K	1305.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, decyl 4-methoxy-3-nitrobenzyl ester.

Sources

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

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