Chemical Properties of Glutaric acid, butyl 3,5-dinitrobenzyl ester

InChI

InChI=1S/C16H20N2O8/c1-2-3-7-25-15(19)5-4-6-16(20)26-11-12-8-13(17(21)22)10-14(9-12)18(23)24/h8-10H,2-7,11H2,1H3

InChI Key

UFNZDLPMUMFOST-UHFFFAOYSA-N

Formula

C16H20N2O8

SMILES

CCCCOC(=O)CCCC(=O)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

Molecular Weight¹

368.34

• 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°	-219.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-671.10	kJ/mol	Joback Calculated Property
ΔfusH°	58.75	kJ/mol	Joback Calculated Property
ΔvapH°	106.30	kJ/mol	Joback Calculated Property
log10WS	-5.14		Crippen Calculated Property
logPoct/wat	3.060		Crippen Calculated Property
McVol	262.260	ml/mol	McGowan Calculated Property
Pc	1830.98	kPa	Joback Calculated Property
Inp	[2802.00; 2802.00]
Inp	2802.00		NIST
Inp	2802.00		NIST
Tboil	1058.38	K	Joback Calculated Property
Tc	1303.94	K	Joback Calculated Property
Tfus	753.08	K	Joback Calculated Property
Vc	1.036	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[841.39; 868.01]	J/mol×K	[1058.38; 1303.94]
Cp,gas	841.39	J/mol×K	1058.38	Joback Calculated Property
Cp,gas	849.26	J/mol×K	1099.31	Joback Calculated Property
Cp,gas	855.72	J/mol×K	1140.23	Joback Calculated Property
Cp,gas	860.80	J/mol×K	1181.16	Joback Calculated Property
Cp,gas	864.52	J/mol×K	1222.09	Joback Calculated Property
Cp,gas	866.91	J/mol×K	1263.01	Joback Calculated Property
Cp,gas	868.01	J/mol×K	1303.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 3,5-dinitrobenzyl ester.

Sources

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

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