Chemical Properties of 5-tert-Butyl-4,6-dinitro-1,2,3-trimethylbenzene (CAS 145-39-1)

InChI

InChI=1S/C13H18N2O4/c1-7-8(2)11(14(16)17)10(13(4,5)6)12(9(7)3)15(18)19/h1-6H3

InChI Key

MINYPECWDZURGR-UHFFFAOYSA-N

Formula

C13H18N2O4

SMILES

Cc1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C

Molecular Weight¹

266.29

CAS

145-39-1

Other Names

• Benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-
• Benzene, 1-(1,1-dimethylethyl)-2,6-dinitro-3,4,5-trimethyl-
• Benzene, 1-tert-butyl-2,6-dinitro-3,4,5-trimethyl-
• Benzene, 1-tert-butyl-3,4,5-trimethyl-2,6-dinitro-
• Musk tibetene
• Tibetene musk
• 5-tert-Butyl-1,2,3-trimethyl-4,6-dinitrobenzene
• 5-t-Butyl-4,6-dinitro-1,2,3-trimethylbenzene
• Musk tibetine
• NSC 78470
• 1-tert-Butyl-2,6-dinitro-3,4,5-trimethylbenzene
• 1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.06; 672.54]	J/mol×K	[848.87; 1103.46]
Cp,gas	608.06	J/mol×K	848.87	Joback Calculated Property
Cp,gas	621.19	J/mol×K	891.30	Joback Calculated Property
Cp,gas	633.27	J/mol×K	933.73	Joback Calculated Property
Cp,gas	644.37	J/mol×K	976.16	Joback Calculated Property
Cp,gas	654.57	J/mol×K	1018.59	Joback Calculated Property
Cp,gas	663.94	J/mol×K	1061.03	Joback Calculated Property
Cp,gas	672.54	J/mol×K	1103.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-tert-Butyl-4,6-dinitro-1,2,3-trimethylbenzene.

Sources

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

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