Chemical Properties of Sebacic acid, hexyl 2-methyl-3-nitrobenzyl ester

InChI

InChI=1S/C24H37NO6/c1-3-4-5-12-18-30-23(26)16-10-8-6-7-9-11-17-24(27)31-19-21-14-13-15-22(20(21)2)25(28)29/h13-15H,3-12,16-19H2,1-2H3

InChI Key

HSPIDGNVLDEUAV-UHFFFAOYSA-N

Formula

C24H37NO6

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)OCc1cccc([N+](=O)[O-])c1C

Molecular Weight¹

435.55

• 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°	-187.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.46	kJ/mol	Joback Calculated Property
ΔfusH°	68.11	kJ/mol	Joback Calculated Property
ΔvapH°	107.52	kJ/mol	Joback Calculated Property
log10WS	-7.90		Crippen Calculated Property
logPoct/wat	6.191		Crippen Calculated Property
McVol	357.560	ml/mol	McGowan Calculated Property
Pc	1029.26	kPa	Joback Calculated Property
Inp	[3214.00; 3214.00]
Inp	3214.00		NIST
Inp	3214.00		NIST
Tboil	1089.58	K	Joback Calculated Property
Tc	1335.53	K	Joback Calculated Property
Tfus	699.63	K	Joback Calculated Property
Vc	1.401	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1228.54; 1280.76]	J/mol×K	[1089.58; 1335.53]
Cp,gas	1228.54	J/mol×K	1089.58	Joback Calculated Property
Cp,gas	1241.38	J/mol×K	1130.57	Joback Calculated Property
Cp,gas	1252.49	J/mol×K	1171.56	Joback Calculated Property
Cp,gas	1261.92	J/mol×K	1212.56	Joback Calculated Property
Cp,gas	1269.74	J/mol×K	1253.55	Joback Calculated Property
Cp,gas	1276.00	J/mol×K	1294.54	Joback Calculated Property
Cp,gas	1280.76	J/mol×K	1335.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hexyl 2-methyl-3-nitrobenzyl ester.

Sources

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

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