Chemical Properties of 2,3-Dihydro-4-methyl-1H-1,5-benzodiazepin-2-one (CAS 6276-48-8)

InChI

InChI=1S/C10H10N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)

InChI Key

AFHSLLLKMSITIA-UHFFFAOYSA-N

Formula

C10H10N2O

SMILES

CC1=Nc2ccccc2N=C(O)C1

Molecular Weight¹

174.20

CAS

6276-48-8

Other Names

• 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-
• 4-Methyl-1,5-benzo-diazepin-2-one
• 1,3-dihydro-4-methyl-2H-1,5-benzodiazepin-2-one

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[375.28; 438.43]	J/mol×K	[687.87; 929.67]
Cp,gas	375.28	J/mol×K	687.87	Joback Calculated Property
Cp,gas	388.52	J/mol×K	728.17	Joback Calculated Property
Cp,gas	400.66	J/mol×K	768.47	Joback Calculated Property
Cp,gas	411.72	J/mol×K	808.77	Joback Calculated Property
Cp,gas	421.69	J/mol×K	849.07	Joback Calculated Property
Cp,gas	430.59	J/mol×K	889.37	Joback Calculated Property
Cp,gas	438.43	J/mol×K	929.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dihydro-4-methyl-1H-1,5-benzodiazepin-2-one.

Sources

• Cheméo Relay (1.0)
• 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

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