- InChI
- InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
- InChI Key
- SCKHCCSZFPSHGR-UHFFFAOYSA-N
- Formula
- C9H10NO3PS
- SMILES
- COP(=S)(OC)Oc1ccc(C#N)cc1
- Molecular Weight1
- 243.22
- CAS
- 2636-26-2
- Other Names
-
- Phosphorothioic acid, O-(4-cyanophenyl) O,O-dimethyl ester
- O-4-Cyanophenyl O,O-dimethyl phosphorothioate
- Phosphorothioic acid, O,O-dimethyl ester, O-ester with p-hydroxybenzonitrile
- BAY 34727
- BAYER 34727
- Ciafos
- O-p-Cyanophenyl O,O-dimethyl phosphorothioate
- Cyanox
- CYAP
- O,O-Dimethyl-O-(4-cyano-phenyl)-monothiophosphate
- O,O-Dimethyl-O-p-cyanophenyl phosphorothioate
- O,O-Dimethyl O-4-cyanophenyl phosphorothioate
- O,O-Dimethyl O-4-cyanophenyl thiophosphate
- ENT 25,675
- MAY & BAKER S-4084
- OMS 226
- OMS 869
- S 4084
- Sumitomo S 4084
- ΔfH°gas : Enthalpy of formation 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -287.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.454 | Crippen Calculated Property | |
| McVol | 169.710 | ml/mol | McGowan Calculated Property |
| Inp | [1700.00; 1781.00] |
|
|
| Inp | 1700.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1733.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1781.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1704.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1781.00 | NIST | |
| I | [2866.00; 2866.00] |
|
|
| I | 2866.00 | NIST | |
| I | 2866.00 | NIST | |
| Tboil | 614.86 | K | Relay (1.0) Calculated Property |
| Tc | 815.23 | K | Relay (1.0) Calculated Property |
| Tfus | 312.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 Cyanophos.
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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