Chemical Properties of Phenol, 3,5-dimethyl-4-(methylsulfonyl)-, methylcarbamate

Phenol, 3,5-dimethyl-4-(methylsulfonyl)-, methylcarbamate

InChI
InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)
InChI Key
RJBJMKAMQIOAML-UHFFFAOYSA-N
Formula
C11H15NO4S
SMILES
CNC(=O)Oc1cc(C)c(S(C)(=O)=O)c(C)c1
Molecular Weight1
257.31
Other Names
  • Carbamic acid, methyl-, 4-(methylsulfonyl)-3,5-xylyl ester
  • Ba 51-084786
  • Bay 37344 sulfone
  • Bayer 37344 Sulfone
  • BAY 41790
  • Carbamic acid, methyl-, 3,5-dimethyl-4-(methylsulfonyl)phenyl ester
  • ENT 25825
  • 3,5-Xylenol, 4-(methylsulfonyl)-, methylcarbamate
  • Methiocarb sulfone
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Physical Properties

Property Value Unit Source
ΔfusH° 37.97 kJ/mol Joback Calculated Property
log10WS -3.26 Relay (1.0) Calculated Property
logPoct/wat 1.425 Crippen Calculated Property
McVol 187.600 ml/mol McGowan Calculated Property
Tfus 404.51 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 [267.76; 573.41] 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 A5.93200e+01
Coefficient B8.46470e-01
Coefficient C-2.93080e-04
Coefficient D-3.93000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 267.76 J/mol×K 273.00 Calculated Property
Cp,gas 320.36 J/mol×K 353.78 Calculated Property
Cp,gas 368.59 J/mol×K 434.56 Calculated Property
Cp,gas 412.32 J/mol×K 515.33 Calculated Property
Cp,gas 451.44 J/mol×K 596.11 Calculated Property
Cp,gas 485.81 J/mol×K 676.89 Calculated Property
Cp,gas 515.32 J/mol×K 757.67 Calculated Property
Cp,gas 539.84 J/mol×K 838.44 Calculated Property
Cp,gas 559.25 J/mol×K 919.22 Calculated Property
Cp,gas 573.41 J/mol×K 1000.00 Calculated Property

Similar Compounds

Mesurol sulfoxide. Methiocarb. Phosphoric acid, dimethyl 3-methyl-4-(methylsulfonyl)phenyl ester. Phosphorothioic acid, O,O-dimethyl O-[3-methyl-4-(methylsulfonyl)phenyl] ester. Fenoxon sulfoxide. Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylsulfonyl)phenyl ester. cannabinolic acid, TMS. 11-Dehydroestradiol, TMS. 17A-11-Dehydroestradiol, TMS. 2,6-Methano-1,4(2h)-benzoxazocin, 4(3h)-cyclopropyl-6(5h)-phenyl-. Silane, [[(15«alpha»,16«alpha»,17«beta»)-estra-1,3,5(10)-triene-3,15,16,17-tetrayl]tetrakis(oxy)]tetrakis[trimethyl-. 15(ksi)-Hydroxyoestriol, TMS. Nadolol tri-TMS derivative. oxazolam, acetylated. 16A-Hydroxyoestrone, TMS.

Find more compounds similar to Phenol, 3,5-dimethyl-4-(methylsulfonyl)-, methylcarbamate.

Sources

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