- InChI
- InChI=1S/C22H35NOSi/c1-16(2)10-12-23-13-11-22(4)17(3)21(23)14-18-8-9-19(15-20(18)22)24-25(5,6)7/h8-10,15,17,21H,11-14H2,1-7H3
- InChI Key
- KMKNLGHEFMHPCX-UHFFFAOYSA-N
- Formula
- C22H35NOSi
- SMILES
-
CC(C)=CCN1CCC2(C)c3cc(O[Si](C)
(C)C)ccc3CC1C2C - Molecular Weight1
- 357.60
- Other Names
-
- Pentazocine O-TMS
- 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.
- 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 | 0.6078 | Relay (1.0) Calculated Property | |
| ΔfG° | 223.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -289.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.391 | Crippen Calculated Property | |
| Pc | 778.20 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 648.51 | K | Relay (1.0) Calculated Property |
| Tc | 875.28 | K | Relay (1.0) Calculated Property |
| Tfus | 383.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.143 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pentazocine TMS derivative.
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
- NIST Webbook
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