Chemical Properties of Butralin

InChI

InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3

InChI Key

SPNQRCTZKIBOAX-UHFFFAOYSA-N

Formula

C14H21N3O4

SMILES

CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]

Molecular Weight¹

295.34

Other Names

• Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-
• Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-
• A 820
• Amchem 70-25
• Amex
• Amex 820
• Butalin
• Dibutalin
• N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline
• 70-314B
• 72-A34
• Amchem A-280
• Butraline
• 4-(1,1-Dimethylethyl)-N-(1-methylpropyl)-2,6-dinitrobenzenamine
• Rutralin
• Tamex
• 4-(tert-Butyl)-N-sec-butyl-2,6-dinitroaniline
• 4-(1,1-Dimethylethyl)-N-(1-methylpropyl)-2,6-dinitrobenzeneamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.28; 783.01]	J/mol×K	[911.72; 1162.04]
Cp,gas	719.28	J/mol×K	911.72	Joback Calculated Property
Cp,gas	732.16	J/mol×K	953.44	Joback Calculated Property
Cp,gas	744.00	J/mol×K	995.16	Joback Calculated Property
Cp,gas	754.91	J/mol×K	1036.88	Joback Calculated Property
Cp,gas	764.98	J/mol×K	1078.60	Joback Calculated Property
Cp,gas	774.31	J/mol×K	1120.32	Joback Calculated Property
Cp,gas	783.01	J/mol×K	1162.04	Joback Calculated Property
ΔfusH	20.84	kJ/mol	338.80	NIST

Similar Compounds

Find more compounds similar to Butralin.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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