Chemical Properties of Succinic acid, 3-methyl-4-nitrobenzyl pentyl ester

InChI

InChI=1S/C17H23NO6/c1-3-4-5-10-23-16(19)8-9-17(20)24-12-14-6-7-15(18(21)22)13(2)11-14/h6-7,11H,3-5,8-10,12H2,1-2H3

InChI Key

WBLRFTVGWPQFGJ-UHFFFAOYSA-N

Formula

C17H23NO6

SMILES

CCCCCOC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])c(C)c1

Molecular Weight¹

337.37

• 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°	-246.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-680.98	kJ/mol	Joback Calculated Property
ΔfusH°	49.98	kJ/mol	Joback Calculated Property
ΔvapH°	91.94	kJ/mol	Joback Calculated Property
log10WS	-4.97		Crippen Calculated Property
logPoct/wat	3.460		Crippen Calculated Property
McVol	258.930	ml/mol	McGowan Calculated Property
Pc	1672.79	kPa	Joback Calculated Property
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		NIST
Tboil	929.42	K	Joback Calculated Property
Tc	1152.32	K	Joback Calculated Property
Tfus	620.74	K	Joback Calculated Property
Vc	1.010	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[811.03; 865.74]	J/mol×K	[929.42; 1152.32]
Cp,gas	811.03	J/mol×K	929.42	Joback Calculated Property
Cp,gas	823.17	J/mol×K	966.57	Joback Calculated Property
Cp,gas	834.07	J/mol×K	1003.72	Joback Calculated Property
Cp,gas	843.77	J/mol×K	1040.87	Joback Calculated Property
Cp,gas	852.26	J/mol×K	1078.02	Joback Calculated Property
Cp,gas	859.58	J/mol×K	1115.17	Joback Calculated Property
Cp,gas	865.74	J/mol×K	1152.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methyl-4-nitrobenzyl pentyl ester.

Sources

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

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