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

InChI

InChI=1S/C19H26ClNO6/c1-2-26-18(22)9-7-5-3-4-6-8-10-19(23)27-14-15-11-12-16(20)17(13-15)21(24)25/h11-13H,2-10,14H2,1H3

InChI Key

ZHXIMHYREZLQME-UHFFFAOYSA-N

Formula

C19H26ClNO6

SMILES

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

Molecular Weight¹

399.87

• 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°	-241.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-738.00	kJ/mol	Joback Calculated Property
ΔfusH°	59.36	kJ/mol	Joback Calculated Property
ΔvapH°	100.78	kJ/mol	Joback Calculated Property
log10WS	-6.43		Crippen Calculated Property
logPoct/wat	4.975		Crippen Calculated Property
McVol	299.350	ml/mol	McGowan Calculated Property
Pc	1398.55	kPa	Joback Calculated Property
Inp	[2938.00; 2938.00]
Inp	2938.00		NIST
Inp	2938.00		NIST
Tboil	1012.61	K	Joback Calculated Property
Tc	1243.24	K	Joback Calculated Property
Tfus	673.20	K	Joback Calculated Property
Vc	1.171	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[948.42; 995.09]	J/mol×K	[1012.61; 1243.24]
Cp,gas	948.42	J/mol×K	1012.61	Joback Calculated Property
Cp,gas	959.47	J/mol×K	1051.05	Joback Calculated Property
Cp,gas	969.17	J/mol×K	1089.49	Joback Calculated Property
Cp,gas	977.55	J/mol×K	1127.93	Joback Calculated Property
Cp,gas	984.64	J/mol×K	1166.36	Joback Calculated Property
Cp,gas	990.48	J/mol×K	1204.80	Joback Calculated Property
Cp,gas	995.09	J/mol×K	1243.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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