- InChI
- InChI=1S/C11H16ClO4PS3/c1-3-15-17(18,16-4-2)19-9-20(13,14)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
- InChI Key
- CBXRYOZUHFXMRF-UHFFFAOYSA-N
- Formula
- C11H16ClO4PS3
- SMILES
-
CCOP(=S)(OCC)SCS(=O)(=O)c1ccc(
Cl)cc1 - Molecular Weight1
- 374.86
- CAS
- 16662-85-4
- Other Names
-
- Phosphorodithioic acid, S-[[(4-chlorophenyl)sulfonyl]methyl] O,O-diethyl ester
- Phosphorodithioic acid, S-[[(p-chlorophenyl)sulfonyl]methyl] O,O-diethyl ester
- O,O-Diethyl S-(p-chlorophenylsulfonyl)methyl phosphorodithioate
- R 1776
- S-p-Chlorophenylsulfonylmethyl O,O-diethyl phosphorodithioate
- 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).
- 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 | 0.6133 | Relay (1.0) Calculated Property | |
| ΔfG° | -328.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -598.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.102 | Crippen Calculated Property | |
| McVol | 247.320 | ml/mol | McGowan Calculated Property |
| Pc | 1939.17 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 687.74 | K | Relay (1.0) Calculated Property |
| Tc | 897.65 | K | Relay (1.0) Calculated Property |
| Tfus | 338.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.835 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carbophenothion sulfone.
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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