Chemical Properties of Sebacic acid, 3-nitro-4-chlorobenzyl pentyl ester

InChI

InChI=1S/C22H32ClNO6/c1-2-3-10-15-29-21(25)11-8-6-4-5-7-9-12-22(26)30-17-18-13-14-19(23)20(16-18)24(27)28/h13-14,16H,2-12,15,17H2,1H3

InChI Key

GVBDNTSWQJHFQC-UHFFFAOYSA-N

Formula

C22H32ClNO6

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1

Molecular Weight¹

441.95

• 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°	-216.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-799.92	kJ/mol	Joback Calculated Property
ΔfusH°	67.13	kJ/mol	Joback Calculated Property
ΔvapH°	107.45	kJ/mol	Joback Calculated Property
log10WS	-7.69		Crippen Calculated Property
logPoct/wat	6.146		Crippen Calculated Property
McVol	341.620	ml/mol	McGowan Calculated Property
Pc	1139.80	kPa	Joback Calculated Property
Inp	[3172.00; 3172.00]
Inp	3172.00		NIST
Inp	3172.00		NIST
Tboil	1081.25	K	Joback Calculated Property
Tc	1323.87	K	Joback Calculated Property
Tfus	707.01	K	Joback Calculated Property
Vc	1.339	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1126.96; 1172.30]	J/mol×K	[1081.25; 1323.87]
Cp,gas	1126.96	J/mol×K	1081.25	Joback Calculated Property
Cp,gas	1138.28	J/mol×K	1121.69	Joback Calculated Property
Cp,gas	1148.02	J/mol×K	1162.12	Joback Calculated Property
Cp,gas	1156.25	J/mol×K	1202.56	Joback Calculated Property
Cp,gas	1163.00	J/mol×K	1243.00	Joback Calculated Property
Cp,gas	1168.33	J/mol×K	1283.44	Joback Calculated Property
Cp,gas	1172.30	J/mol×K	1323.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-nitro-4-chlorobenzyl pentyl ester.

Sources

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

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