Chemical Properties of Phthalic acid, 3,5-dinitro-4-methylbenzyl ethyl ester

InChI

InChI=1S/C18H16N2O8/c1-3-27-17(21)13-6-4-5-7-14(13)18(22)28-10-12-8-15(19(23)24)11(2)16(9-12)20(25)26/h4-9H,3,10H2,1-2H3

InChI Key

UMCIBIMLRJDHCU-UHFFFAOYSA-N

Formula

C18H16N2O8

SMILES

CCOC(=O)c1ccccc1C(=O)OCc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1

Molecular Weight¹

388.33

• 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°	-109.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-498.79	kJ/mol	Joback Calculated Property
ΔfusH°	57.20	kJ/mol	Joback Calculated Property
ΔvapH°	114.36	kJ/mol	Joback Calculated Property
log10WS	-6.26		Crippen Calculated Property
logPoct/wat	3.345		Crippen Calculated Property
McVol	266.680	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[3027.00; 3027.00]
Inp	3027.00		NIST
Inp	3027.00		NIST
Tboil	1140.78	K	Joback Calculated Property
Tc	1408.95	K	Joback Calculated Property
Tfus	827.08	K	Joback Calculated Property
Vc	1.040	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[831.24; 839.54]	J/mol×K	[1140.78; 1408.95]
Cp,gas	831.24	J/mol×K	1140.78	Joback Calculated Property
Cp,gas	835.63	J/mol×K	1185.48	Joback Calculated Property
Cp,gas	838.39	J/mol×K	1230.17	Joback Calculated Property
Cp,gas	839.54	J/mol×K	1274.87	Joback Calculated Property
Cp,gas	839.11	J/mol×K	1319.56	Joback Calculated Property
Cp,gas	837.15	J/mol×K	1364.26	Joback Calculated Property
Cp,gas	833.69	J/mol×K	1408.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3,5-dinitro-4-methylbenzyl ethyl ester.

Sources

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

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