Chemical Properties of N-Phenethyl O-methyl thiocarbamate (CAS 930585-96-9)

InChI

InChI=1S/C10H13NOS/c1-12-10(13)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,13)

InChI Key

SABSUMPVZBKPRQ-UHFFFAOYSA-N

Formula

C10H13NOS

SMILES

COC(S)=NCCc1ccccc1

Molecular Weight¹

195.28

CAS

930585-96-9

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Similar Compounds

Find more compounds similar to N-Phenethyl O-methyl thiocarbamate.

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

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