- InChI
- InChI=1S/C21H21O3PS/c1-16-4-10-19(11-5-16)22-25(26,23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3
- InChI Key
- KOPAJQQYQQKYEG-UHFFFAOYSA-N
- Formula
- C21H21O3PS
- SMILES
-
Cc1ccc(OP(=S)(Oc2ccc(C)cc2)Oc2
ccc(C)cc2)cc1 - Molecular Weight1
- 384.43
- CAS
- 597-84-2
- Other Names
-
- tri-p-Tolyl thiophosphate
- Phosphorothioic acid, O,O,O-tris(4-methylphenyl) ester
- 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 | 0.7874 | Relay (1.0) Calculated Property | |
| ΔfG° | -6.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -261.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.373 | Crippen Calculated Property | |
| McVol | 289.890 | ml/mol | McGowan Calculated Property |
| Pc | 1343.76 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 707.29 | K | Relay (1.0) Calculated Property |
| Tc | 1004.33 | K | Relay (1.0) Calculated Property |
| Tfus | 329.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.055 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to tri-4-Tolyl thiophosphate.
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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