Chemical Properties of 1,5-Benzothiazepin-4(5H)-one, 2-methyl- (CAS 63870-02-0)

InChI

InChI=1S/C10H9NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)

InChI Key

XMCREDZXYDRQBF-UHFFFAOYSA-N

Formula

C10H9NOS

SMILES

CC1=CC(O)=Nc2ccccc2S1

Molecular Weight¹

191.25

CAS

63870-02-0

Other Names

• 2-Methyl-1,5-benzothiazepin-4(5H)-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, 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	[353.60; 410.15]	J/mol×K	[682.00; 927.66]
Cp,gas	353.60	J/mol×K	682.00	Joback Calculated Property
Cp,gas	365.25	J/mol×K	722.94	Joback Calculated Property
Cp,gas	375.97	J/mol×K	763.89	Joback Calculated Property
Cp,gas	385.78	J/mol×K	804.83	Joback Calculated Property
Cp,gas	394.72	J/mol×K	845.77	Joback Calculated Property
Cp,gas	402.83	J/mol×K	886.72	Joback Calculated Property
Cp,gas	410.15	J/mol×K	927.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Benzothiazepin-4(5H)-one, 2-methyl-.

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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