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_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	[353.54; 410.11]	J/mol×K	[681.80; 927.39]
Cp,gas	353.54	J/mol×K	681.80	Joback Calculated Property
Cp,gas	365.20	J/mol×K	722.73	Joback Calculated Property
Cp,gas	375.91	J/mol×K	763.66	Joback Calculated Property
Cp,gas	385.72	J/mol×K	804.59	Joback Calculated Property
Cp,gas	394.67	J/mol×K	845.53	Joback Calculated Property
Cp,gas	402.78	J/mol×K	886.46	Joback Calculated Property
Cp,gas	410.11	J/mol×K	927.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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