- 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
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5382 | Relay (1.0) Calculated Property | |
| ΔfG° | 151.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -24.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.161 | Crippen Calculated Property | |
| McVol | 155.900 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | [1703.00; 1726.90] |
|
|
| Inp | 1726.90 | NIST | |
| Inp | 1703.00 | NIST | |
| I | 2827.00 | NIST | |
| Tboil | 552.61 | K | Relay (1.0) Calculated Property |
| Tc | 765.05 | K | Relay (1.0) Calculated Property |
| Tfus | 315.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
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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