- InChI
- InChI=1S/C11H15NOS/c1-2-13-11(14)12-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,14)
- InChI Key
- XTJCUAOOXUKWRD-UHFFFAOYSA-N
- Formula
- C11H15NOS
- SMILES
- CCOC(S)=NCCc1ccccc1
- Molecular Weight1
- 209.31
- CAS
- 55365-88-3
- 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 | 0.5657 | Relay (1.0) Calculated Property | |
| ΔfG° | 126.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -65.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.551 | Crippen Calculated Property | |
| McVol | 169.990 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Inp | 1773.00 | NIST | |
| I | 2847.00 | NIST | |
| Tboil | 559.79 | K | Relay (1.0) Calculated Property |
| Tc | 762.53 | K | Relay (1.0) Calculated Property |
| Tfus | 315.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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N-[2-[4-(acetyloxy)phenyl]ethyl]-.](data:image/png;base64,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)
Find more compounds similar to N-Phenethyl O-ethyl 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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