- InChI
- InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
- InChI Key
- SBPBAQFWLVIOKP-UHFFFAOYSA-N
- Formula
- C9H11Cl3NO3PS
- SMILES
-
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1
Cl - Molecular Weight1
- 350.59
- CAS
- 2921-88-2
- Other Names
-
- 2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate
- Bonidel
- Brodan
- Chloropyrifos
- Chloropyriphos
- Chlorpyrifos-ethyl
- Chlorpyriphos
- Chlorpyriphos-ethyl
- Chlorpyrofos
- Chlorpyrophos
- Coroban
- Danusban
- Detmol U.A.
- Dowco 179
- Durmet
- Dursban
- Dursban 10CR
- Dursban 2E
- Dursban 4E
- Dursban F
- Dursban R
- ENT 27,311
- ENT 27311
- Empire 20
- Equity
- Ethyl chlorpyriphos
- Geodinfos
- Killmaster
- Lentrek
- Lock-On
- Lorsban
- O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat
- O,O-Diethyl O-(3,5,6-Trichloro-2-pyridyl) phosphorothioate
- O,O-Diethyl O-(3,5,6-trichloro-2-pyridinyl)phosphorothioate
- O,O-Diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate
- OMS 971
- OMS-0971
- Pageant
- Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester
- Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridyl) ester
- Piridane
- Pyrinex
- Radar
- Silrifos
- Spannit
- Stipend
- Suscon blue
- Suscon green
- Tafaban
- Terial
- Trichlorpyrphos
- XRM 429
- XRM 5160
- Zidil
- diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane
- m-Chlorpyrifos
- o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate
- suSCon
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.5922 | Relay (1.0) Calculated Property | |
| ΔfG° | -235.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -542.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | [-5.67; -5.24] |
|
|
| log10WS | -5.51 | Aq. Solubility Prediction | |
| log10WS | -5.67 | Estimated Solubility | |
| log10WS | -5.24 | Rytting (2005) | |
| logPoct/wat | 4.718 | Crippen Calculated Property | |
| McVol | 215.030 | ml/mol | McGowan Calculated Property |
| Pc | 2128.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1927.00; 1997.00] |
|
|
| Inp | 1947.00 | NIST | |
| Inp | 1967.00 | NIST | |
| Inp | 1971.00 | NIST | |
| Inp | 1976.00 | NIST | |
| Inp | 1955.00 | NIST | |
| Inp | 1997.00 | NIST | |
| Inp | 1940.00 | NIST | |
| Inp | 1927.00 | NIST | |
| Inp | 1982.00 | NIST | |
| Inp | 1955.00 | NIST | |
| Inp | 1947.00 | NIST | |
| Tboil | 600.14 | K | Relay (1.0) Calculated Property |
| Tc | 844.62 | K | Relay (1.0) Calculated Property |
| Tfus | [315.25; 316.40] | K |
|
| Tfus | 315.25 ± 0.20 | K | NIST |
| Tfus | 316.40 ± 0.10 | K | NIST |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 24.53 | kJ/mol | 315.00 | NIST |
| ΔfusS | 81.99 | J/mol×K | 315.00 | NIST |
Similar Compounds
Find more compounds similar to Chlorpyrifos.
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
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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