- InChI
- InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
- InChI Key
- ZOKXUAHZSKEQSS-UHFFFAOYSA-N
- Formula
- C12H27OPS3
- SMILES
- CCCCSP(=O)(SCCCC)SCCCC
- Molecular Weight1
- 314.51
- CAS
- 78-48-8
- Other Names
-
- B-1,776
- Butifos
- Butiphos
- Butyl Phosphorotrithioate ((BuS)3PO)
- Butyl phosphorotrithioate
- Chemagro 1,776
- Chemagro B-1776
- DEF
- DEF Defoliant
- De-Green
- E-Z-Off D
- Fos-Fall A
- Fosfall
- Merphos oxide
- Merphos-oxon
- Merphos-oxone
- Ortho phosphate defoliant
- Phosphorotrithioic acid, S,S,S-tributyl ester
- S,S,S-Tributyl trithiophosphate
- S,S,S-Tributyltrithiofosfat
- TBTP
- Tribufos
- Tribuphos
- Tributyl phosphorotrithioate
- 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).
- 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 | 0.5655 | Relay (1.0) Calculated Property | |
| ΔfG° | -78.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -386.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | [-5.14; -5.14] |
|
|
| log10WS | -5.14 | Aq. Solubility Prediction | |
| log10WS | -5.14 | Estimated Solubility | |
| logPoct/wat | 6.694 | Crippen Calculated Property | |
| McVol | 255.320 | ml/mol | McGowan Calculated Property |
| Pc | 1719.66 | kPa | Relay (1.0-beta) Calculated Property |
| I | 2771.00 | NIST | |
| Tboil | 618.23 | K | Relay (1.0) Calculated Property |
| Tc | 784.30 | K | Relay (1.0) Calculated Property |
| Tfus | 234.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.897 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to S,S,S-Tributyl phosphorotrithioate.
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
- McGowan Method
- NIST Webbook
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