- InChI
- InChI=1S/C16H18ClNO2S/c1-11-5-4-6-12(2)16(11)18(15(19)9-17)10-14-13(20-3)7-8-21-14/h4-8H,9-10H2,1-3H3
- InChI Key
- KDWQYMVPYJGPHS-UHFFFAOYSA-N
- Formula
- C16H18ClNO2S
- SMILES
-
COc1ccsc1CN(C(=O)CCl)c1c(C)ccc
c1C - Molecular Weight1
- 323.84
- CAS
- 96491-05-3
- Other Names
-
- Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-[(3-methoxy-2-thienyl)methyl]-
- 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.
- 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 | 0.7301 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -219.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.146 | Crippen Calculated Property | |
| McVol | 239.090 | ml/mol | McGowan Calculated Property |
| Pc | 1922.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2367.00; 2384.00] |
|
|
| Inp | 2367.00 | NIST | |
| Inp | 2384.00 | NIST | |
| Inp | 2367.00 | NIST | |
| Tboil | 652.73 | K | Relay (1.0) Calculated Property |
| Tc | 923.65 | K | Relay (1.0) Calculated Property |
| Tfus | 355.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.832 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thenylchlor.
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
- McGowan Method
- NIST Webbook
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