Chemical Properties of Anisole, 2-sec-butyl-4,6-dinitro- (CAS 6099-79-2)

InChI

InChI=1S/C11H14N2O5/c1-4-7(2)9-5-8(12(14)15)6-10(13(16)17)11(9)18-3/h5-7H,4H2,1-3H3

InChI Key

UVYHORVGKZXEMP-UHFFFAOYSA-N

Formula

C11H14N2O5

SMILES

CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC

Molecular Weight¹

254.24

CAS

6099-79-2

Other Names

• DNBPME
• 2,4-Dinitro-6-sec-butylphenol methyl ether
• Dinoseb, methyl ether
• Dinoseb methyl ester
• Phenol, 2-(1-methylpropyl)-4,6-dinitro-, methylated
• Phenol, 2-(1-methylpropyl), 4,6-dinitro, methyl ether

• 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	[526.31; 582.49]	J/mol×K	[818.36; 1069.43]
Cp,gas	526.31	J/mol×K	818.36	Joback Calculated Property
Cp,gas	538.33	J/mol×K	860.20	Joback Calculated Property
Cp,gas	549.25	J/mol×K	902.05	Joback Calculated Property
Cp,gas	559.10	J/mol×K	943.89	Joback Calculated Property
Cp,gas	567.91	J/mol×K	985.74	Joback Calculated Property
Cp,gas	575.70	J/mol×K	1027.58	Joback Calculated Property
Cp,gas	582.49	J/mol×K	1069.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anisole, 2-sec-butyl-4,6-dinitro-.

Sources

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

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