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

1,5-Benzothiazepin-4(5H)-one, 2-methyl-

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 22.72 kJ/mol Joback Calculated Property
logPoct/wat 3.284 Crippen Calculated Property
McVol 140.740 ml/mol McGowan Calculated Property

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [177.04; 421.27] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.40400e+01
Coefficient B8.24510e-01
Coefficient C-4.81500e-04
Coefficient D9.23000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 177.04 J/mol×K 273.00 Calculated Property
Cp,gas 221.48 J/mol×K 353.78 Calculated Property
Cp,gas 260.90 J/mol×K 434.56 Calculated Property
Cp,gas 295.62 J/mol×K 515.33 Calculated Property
Cp,gas 325.91 J/mol×K 596.11 Calculated Property
Cp,gas 352.07 J/mol×K 676.89 Calculated Property
Cp,gas 374.40 J/mol×K 757.67 Calculated Property
Cp,gas 393.18 J/mol×K 838.44 Calculated Property
Cp,gas 408.71 J/mol×K 919.22 Calculated Property
Cp,gas 421.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

Uridine, 5-iodo-. Thiazesim. DILTIAZEM, M(ODESMETHYL-), AC. xanthosine, TMS. Diltiazem. Cilostazol. Cytosine arabinoside, dimethyl-TMS derivative. oxazolam, acetylated. 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. 1-Oxo-2-(3-phenylrhodanin-5-ylidene)-3-pyridinium-4-naphthoxide. 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. 5-methyluridine, 2',3',5'-tris(O-TMSi). Cytidine, methyl-TMS derivative. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. naringin.

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

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.