Chemical Properties of Glutaric acid, 3,5-dinitro-2-methylbenzyl hexyl ester

InChI

InChI=1S/C19H26N2O8/c1-3-4-5-6-10-28-18(22)8-7-9-19(23)29-13-15-11-16(20(24)25)12-17(14(15)2)21(26)27/h11-12H,3-10,13H2,1-2H3

InChI Key

UCBICRFWEROVCU-UHFFFAOYSA-N

Formula

C19H26N2O8

SMILES

CCCCCCOC(=O)CCCC(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C

Molecular Weight¹

410.42

• 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	1.1866		Relay (1.0) Calculated Property
ΔfG°	-204.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-802.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.14	kJ/mol	Joback Calculated Property
ΔvapH°	115.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-5.17		Relay (1.0) Calculated Property
logPoct/wat	4.148		Crippen Calculated Property
McVol	304.530	ml/mol	McGowan Calculated Property
Pc	1434.80	kPa	Joback Calculated Property
Inp	[3070.00; 3070.00]
Inp	3070.00		NIST
Inp	3070.00		NIST
Tboil	664.47	K	Relay (1.0) Calculated Property
Tc	939.58	K	Relay (1.0) Calculated Property
Tfus	334.52	K	Relay (1.0) Calculated Property
Vc	1.093	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.84; 1035.04]	J/mol×K	[1132.00; 1386.20]
Cp,gas	1013.84	J/mol×K	1132.00	Joback Calculated Property
Cp,gas	1021.34	J/mol×K	1174.37	Joback Calculated Property
Cp,gas	1027.17	J/mol×K	1216.73	Joback Calculated Property
Cp,gas	1031.38	J/mol×K	1259.10	Joback Calculated Property
Cp,gas	1033.99	J/mol×K	1301.47	Joback Calculated Property
Cp,gas	1035.04	J/mol×K	1343.83	Joback Calculated Property
Cp,gas	1034.57	J/mol×K	1386.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,5-dinitro-2-methylbenzyl hexyl ester.

Sources

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

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