Chemical Properties of 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

• 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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[474.52; 543.45]	J/mol×K	[649.07; 851.95]
Cp,gas	474.52	J/mol×K	649.07	Joback Calculated Property
Cp,gas	488.17	J/mol×K	682.88	Joback Calculated Property
Cp,gas	500.97	J/mol×K	716.70	Joback Calculated Property
Cp,gas	512.91	J/mol×K	750.51	Joback Calculated Property
Cp,gas	523.97	J/mol×K	784.32	Joback Calculated Property
Cp,gas	534.15	J/mol×K	818.14	Joback Calculated Property
Cp,gas	543.45	J/mol×K	851.95	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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