Chemical Properties of Glutaric acid, dodecyl 2-nitro-3-chlorobenzyl ester

InChI

InChI=1S/C24H36ClNO6/c1-2-3-4-5-6-7-8-9-10-11-18-31-22(27)16-13-17-23(28)32-19-20-14-12-15-21(25)24(20)26(29)30/h12,14-15H,2-11,13,16-19H2,1H3

InChI Key

DAWGZUGSXWLIIC-UHFFFAOYSA-N

Formula

C24H36ClNO6

SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cccc(Cl)c1[N+](=O)[O-]

Molecular Weight¹

470.00

• 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°	-199.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-841.20	kJ/mol	Joback Calculated Property
ΔfusH°	72.31	kJ/mol	Joback Calculated Property
ΔvapH°	111.91	kJ/mol	Joback Calculated Property
log10WS	-8.53		Crippen Calculated Property
logPoct/wat	6.926		Crippen Calculated Property
McVol	369.800	ml/mol	McGowan Calculated Property
Pc	1005.26	kPa	Joback Calculated Property
Inp	[3300.00; 3300.00]
Inp	3300.00		NIST
Inp	3300.00		NIST
Tboil	1127.01	K	Joback Calculated Property
Tc	1383.42	K	Joback Calculated Property
Tfus	729.55	K	Joback Calculated Property
Vc	1.450	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1247.84; 1291.56]	J/mol×K	[1127.01; 1383.42]
Cp,gas	1247.84	J/mol×K	1127.01	Joback Calculated Property
Cp,gas	1259.35	J/mol×K	1169.75	Joback Calculated Property
Cp,gas	1269.07	J/mol×K	1212.48	Joback Calculated Property
Cp,gas	1277.08	J/mol×K	1255.22	Joback Calculated Property
Cp,gas	1283.45	J/mol×K	1297.95	Joback Calculated Property
Cp,gas	1288.26	J/mol×K	1340.69	Joback Calculated Property
Cp,gas	1291.56	J/mol×K	1383.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodecyl 2-nitro-3-chlorobenzyl ester.

Sources

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

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