- InChI
- InChI=1S/C30H45NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-31-27-22-17-19-24-29(27)32-30-25-20-18-23-28(30)31/h17-20,22-25H,2-16,21,26H2,1H3
- InChI Key
- IGUHKPOQPVTBEO-UHFFFAOYSA-N
- Formula
- C30H45NS
- SMILES
-
CCCCCCCCCCCCCCCCCCN1c2ccccc2Sc
2ccccc21 - Molecular Weight1
- 451.75
- CAS
- 16262-72-9
- 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 | 1.1397 | Relay (1.0) Calculated Property | |
| ΔfG° | 401.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -123.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 150.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.551 | Crippen Calculated Property | |
| McVol | 401.510 | ml/mol | McGowan Calculated Property |
| Pc | 760.27 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 759.24 | K | Relay (1.0) Calculated Property |
| Tc | 991.34 | K | Relay (1.0) Calculated Property |
| Tfus | 346.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.507 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 10-(N-octadecyl)phenothiazine.
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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