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

InChI

InChI=1S/C20H20N2O8/c1-3-4-9-29-19(23)15-7-5-6-8-16(15)20(24)30-12-14-10-17(21(25)26)13(2)18(11-14)22(27)28/h5-8,10-11H,3-4,9,12H2,1-2H3

InChI Key

JUYUCYKRJYFWEQ-UHFFFAOYSA-N

Formula

C20H20N2O8

SMILES

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

Molecular Weight¹

416.38

• 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°	-92.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.07	kJ/mol	Joback Calculated Property
ΔfusH°	62.38	kJ/mol	Joback Calculated Property
ΔvapH°	118.81	kJ/mol	Joback Calculated Property
log10WS	-7.10		Crippen Calculated Property
logPoct/wat	4.125		Crippen Calculated Property
McVol	294.860	ml/mol	McGowan Calculated Property
Pc	1707.53	kPa	Joback Calculated Property
Inp	[3260.00; 3260.00]
Inp	3260.00		NIST
Inp	3260.00		NIST
Tboil	1186.54	K	Joback Calculated Property
Tc	1456.55	K	Joback Calculated Property
Tfus	849.62	K	Joback Calculated Property
Vc	1.151	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[945.92; 953.25]	J/mol×K	[1186.54; 1456.55]
Cp,gas	945.92	J/mol×K	1186.54	Joback Calculated Property
Cp,gas	950.06	J/mol×K	1231.54	Joback Calculated Property
Cp,gas	952.49	J/mol×K	1276.54	Joback Calculated Property
Cp,gas	953.25	J/mol×K	1321.54	Joback Calculated Property
Cp,gas	952.39	J/mol×K	1366.54	Joback Calculated Property
Cp,gas	949.97	J/mol×K	1411.55	Joback Calculated Property
Cp,gas	946.04	J/mol×K	1456.55	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.