Chemical Properties of 2-(2',4',6'-Trichlorophenoxy)-4-methylthio-aceto-phenone

2-(2',4',6'-Trichlorophenoxy)-4-methylthio-aceto-phenone

InChI
InChI=1S/C15H11Cl3O2S/c1-8(19)11-4-3-10(21-2)7-14(11)20-15-12(17)5-9(16)6-13(15)18/h3-7H,1-2H3
InChI Key
RUFFIEBWNLDHNC-UHFFFAOYSA-N
Formula
C15H11Cl3O2S
SMILES
CSc1ccc(C(C)=O)c(Oc2c(Cl)cc(Cl)cc2Cl)c1
Molecular Weight1
361.68
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Physical Properties

Property Value Unit Source
ΔfusH° 40.25 kJ/mol Joback Calculated Property
logPoct/wat 6.364 Crippen Calculated Property
McVol 235.200 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 [298.97; 599.86] 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 A8.40700e+01
Coefficient B8.97130e-01
Coefficient C-4.10700e-04
Coefficient D2.93600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 298.97 J/mol×K 273.00 Calculated Property
Cp,gas 351.35 J/mol×K 353.78 Calculated Property
Cp,gas 398.78 J/mol×K 434.56 Calculated Property
Cp,gas 441.34 J/mol×K 515.33 Calculated Property
Cp,gas 479.14 J/mol×K 596.11 Calculated Property
Cp,gas 512.26 J/mol×K 676.89 Calculated Property
Cp,gas 540.80 J/mol×K 757.67 Calculated Property
Cp,gas 564.85 J/mol×K 838.44 Calculated Property
Cp,gas 584.51 J/mol×K 919.22 Calculated Property
Cp,gas 599.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. propyl-cannabinolic acid, n-butyl-boronate. Lysergol. narwedine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. 7-acetyl-9-curassavoylheliotridine. 11-Dehydroestradiol, TMS. Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy. Betamethasone tetra-TMS. 17A-11-Dehydroestradiol, TMS. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Hydroxy-N-methylcytisine.

Find more compounds similar to 2-(2',4',6'-Trichlorophenoxy)-4-methylthio-aceto-phenone.

Sources

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