Chemical Properties of 2,4,6 Tri-tert-butylnitrobenzene (CAS 4074-25-3)

InChI

InChI=1S/C18H29NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11H,1-9H3

InChI Key

IMDZOFHRUMJNQR-UHFFFAOYSA-N

Formula

C18H29NO2

SMILES

CC(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])c(C(C)(C)C)c1

Molecular Weight¹

291.43

CAS

4074-25-3

Other Names

• 2,4,6-tri-t-Butylnitrobenzene
• Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-nitro-
• Nitrobenzene, 2,4,6-tri-tert-butyl-
• 1,3,5-tri(tert-butyl)-2-nitrobenzene

• 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).
• 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	[788.47; 882.23]	J/mol×K	[795.01; 1033.56]
Cp,gas	788.47	J/mol×K	795.01	Joback Calculated Property
Cp,gas	806.80	J/mol×K	834.77	Joback Calculated Property
Cp,gas	823.86	J/mol×K	874.53	Joback Calculated Property
Cp,gas	839.78	J/mol×K	914.29	Joback Calculated Property
Cp,gas	854.72	J/mol×K	954.04	Joback Calculated Property
Cp,gas	868.82	J/mol×K	993.80	Joback Calculated Property
Cp,gas	882.23	J/mol×K	1033.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6 Tri-tert-butylnitrobenzene.

Sources

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

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