Chemical Properties of Mesurol sulfoxide (CAS 2635-10-1)

Mesurol sulfoxide

InChI
InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChI Key
FNCMBMZOZQAWJA-UHFFFAOYSA-N
Formula
C11H15NO3S
SMILES
CNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1
Molecular Weight1
241.31
CAS
2635-10-1
Other Names
  • Phenol, 3,5-dimethyl-4-(methylsulfinyl)-, methylcarbamate
  • Carbamic acid, methyl-, 4-(methylsulfinyl)-3,5-xylyl ester
  • Bay 37344 sulfoxide
  • BAY 41791
  • 4-(Methylsulfinyl)-3,5-xylyl methylcarbamate
  • BAYER 41791
  • Carbamic acid, methyl-, 3,5-dimethyl-4-(methylsulfinyl)phenyl ester
  • 3,5-Dimethyl-4-(methylsulfinyl)phenyl methylcarbamate
  • ENT 25824
  • Methiocarb sulfoxide
  • Phenol, 3,5-dimethyl-4-(methylsulfinyl)-, (N-methylcarbamate)
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Physical Properties

Property Value Unit Source
ΔfusH° 34.34 kJ/mol Joback Calculated Property
log10WS -2.48 Relay (1.0) Calculated Property
logPoct/wat 1.759 Crippen Calculated Property
McVol 181.730 ml/mol McGowan Calculated Property
Tfus 405.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [255.01; 552.09] 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 A5.25000e+01
Coefficient B8.26870e-01
Coefficient C-3.05780e-04
Coefficient D-2.15000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 255.01 J/mol×K 273.00 Calculated Property
Cp,gas 305.81 J/mol×K 353.78 Calculated Property
Cp,gas 352.31 J/mol×K 434.56 Calculated Property
Cp,gas 394.47 J/mol×K 515.33 Calculated Property
Cp,gas 432.19 J/mol×K 596.11 Calculated Property
Cp,gas 465.43 J/mol×K 676.89 Calculated Property
Cp,gas 494.10 J/mol×K 757.67 Calculated Property
Cp,gas 518.15 J/mol×K 838.44 Calculated Property
Cp,gas 537.50 J/mol×K 919.22 Calculated Property
Cp,gas 552.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phenol, 3,5-dimethyl-4-(methylsulfonyl)-, methylcarbamate. Methiocarb. Phosphoric acid, dimethyl 3-methyl-4-(methylsulfonyl)phenyl ester. Fenoxon sulfoxide. Phosphorothioic acid, O,O-dimethyl O-[3-methyl-4-(methylsulfonyl)phenyl] ester. Mesulfenfos. Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylsulfonyl)phenyl ester. 5-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2,6-dimethoxy-phenol, TES. cannabinolic acid, TMS. 11-Dehydroestradiol, TMS. 17A-11-Dehydroestradiol, TMS. 2,6-Methano-1,4(2h)-benzoxazocin, 4(3h)-cyclopropyl-6(5h)-phenyl-. Dosulepin-M (HO-) isomer-2 AC. Silane, [[(15«alpha»,16«alpha»,17«beta»)-estra-1,3,5(10)-triene-3,15,16,17-tetrayl]tetrakis(oxy)]tetrakis[trimethyl-.

Find more compounds similar to Mesurol sulfoxide.

Sources

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