Chemical Properties of Glutaric acid, di(4-methyl-3-nitrobenzyl) ester

InChI

InChI=1S/C21H22N2O8/c1-14-6-8-16(10-18(14)22(26)27)12-30-20(24)4-3-5-21(25)31-13-17-9-7-15(2)19(11-17)23(28)29/h6-11H,3-5,12-13H2,1-2H3

InChI Key

LUBGLKGCSLQTLQ-UHFFFAOYSA-N

Formula

C21H22N2O8

SMILES

Cc1ccc(COC(=O)CCCC(=O)OCc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

Molecular Weight¹

430.41

• 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	1.1586		Relay (1.0) Calculated Property
ΔfG°	-84.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-633.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.97	kJ/mol	Joback Calculated Property
ΔvapH°	130.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.077		Crippen Calculated Property
McVol	308.950	ml/mol	McGowan Calculated Property
Pc	1579.71	kPa	Joback Calculated Property
Inp	[3587.00; 3587.00]
Inp	3587.00		NIST
Inp	3587.00		NIST
Tboil	691.63	K	Relay (1.0) Calculated Property
Tc	1019.14	K	Relay (1.0) Calculated Property
Tfus	369.42	K	Relay (1.0) Calculated Property
Vc	1.098	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1002.29; 1010.40]	J/mol×K	[1209.42; 1482.07]
Cp,gas	1003.71	J/mol×K	1209.42	Joback Calculated Property
Cp,gas	1007.68	J/mol×K	1254.86	Joback Calculated Property
Cp,gas	1009.89	J/mol×K	1300.30	Joback Calculated Property
Cp,gas	1010.40	J/mol×K	1345.75	Joback Calculated Property
Cp,gas	1009.27	J/mol×K	1391.19	Joback Calculated Property
Cp,gas	1006.54	J/mol×K	1436.63	Joback Calculated Property
Cp,gas	1002.29	J/mol×K	1482.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(4-methyl-3-nitrobenzyl) ester.

Sources

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

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