Chemical Properties of Glutaric acid, dodecyl 3-methyl-2-nitrobenzyl ester

InChI

InChI=1S/C25H39NO6/c1-3-4-5-6-7-8-9-10-11-12-19-31-23(27)17-14-18-24(28)32-20-22-16-13-15-21(2)25(22)26(29)30/h13,15-16H,3-12,14,17-20H2,1-2H3

InChI Key

OTYIZIIDOXBMPB-UHFFFAOYSA-N

Formula

C25H39NO6

SMILES

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

Molecular Weight¹

449.58

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.2765		Relay (1.0) Calculated Property
ΔfG°	-179.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-933.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.70	kJ/mol	Joback Calculated Property
ΔvapH°	128.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	6.581		Crippen Calculated Property
McVol	371.650	ml/mol	McGowan Calculated Property
Pc	968.68	kPa	Joback Calculated Property
Inp	[3301.00; 3301.00]
Inp	3301.00		NIST
Inp	3301.00		NIST
Tboil	695.73	K	Relay (1.0) Calculated Property
Tc	929.91	K	Relay (1.0) Calculated Property
Tfus	312.24	K	Relay (1.0) Calculated Property
Vc	1.374	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1289.76; 1341.06]	J/mol×K	[1112.46; 1366.14]
Cp,gas	1289.76	J/mol×K	1112.46	Joback Calculated Property
Cp,gas	1302.71	J/mol×K	1154.74	Joback Calculated Property
Cp,gas	1313.81	J/mol×K	1197.02	Joback Calculated Property
Cp,gas	1323.12	J/mol×K	1239.30	Joback Calculated Property
Cp,gas	1330.72	J/mol×K	1281.58	Joback Calculated Property
Cp,gas	1336.68	J/mol×K	1323.86	Joback Calculated Property
Cp,gas	1341.06	J/mol×K	1366.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodecyl 3-methyl-2-nitrobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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