Chemical Properties of Mesurol sulfone (CAS 2179-25-1)

Mesurol sulfone

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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
CAS
2179-25-1
Other Names
  • Phenol, 3,5-dimethyl-4-(methylsulfonyl)-, methylcarbamate
  • 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
Δf -487.81 kJ/mol Joback Calculated Property
Δfgas -712.93 kJ/mol Joback Calculated Property
Δfus 36.38 kJ/mol Joback Calculated Property
Δvap 78.57 kJ/mol Joback Calculated Property
log10WS -2.60 Crippen Calculated Property
logPoct/wat 1.425 Crippen Calculated Property
McVol 187.600 ml/mol McGowan Calculated Property
Pc 3177.55 kPa Joback Calculated Property
Tboil 666.94 K Joback Calculated Property
Tc 871.86 K Joback Calculated Property
Tfus 441.09 K Joback Calculated Property
Vc 0.729 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [478.63; 546.43] J/mol×K [666.94; 871.86] Show Hide
Cp,gas 478.63 J/mol×K 666.94 Joback Calculated Property
Cp,gas 492.03 J/mol×K 701.09 Joback Calculated Property
Cp,gas 504.61 J/mol×K 735.25 Joback Calculated Property
Cp,gas 516.35 J/mol×K 769.40 Joback Calculated Property
Cp,gas 527.24 J/mol×K 803.56 Joback Calculated Property
Cp,gas 537.27 J/mol×K 837.71 Joback Calculated Property
Cp,gas 546.43 J/mol×K 871.86 Joback Calculated Property

Similar Compounds

Mesurol sulfoxide. Methiocarb. Fenthion O-analog sulfone. 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-. 15(ksi)-Hydroxyoestriol, TMS. oxazolam, acetylated. 16A-Hydroxyoestrone, TMS. Nadolol tri-TMS derivative. Mirtazapine-M (HO-) AC.

Find more compounds similar to Mesurol sulfone.

Sources

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