- InChI
- InChI=1S/C20H15NS/c22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
- InChI Key
- ZPZHAUXTGFNYTN-UHFFFAOYSA-N
- Formula
- C20H15NS
- SMILES
-
S=C=NC(c1ccccc1)(c1ccccc1)c1cc
ccc1 - Molecular Weight1
- 301.40
- CAS
- 1726-94-9
- Other Names
-
- Triphenylmethyl isothiocyanate
- 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 | 0.4808 | Relay (... Calculated Property | |
| ΔfG° | 501.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 510.27 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.41 | kJ/mol | Relay (... Calculated Property |
| IE | 8.27 | eV | Relay (... Calculated Property |
| log10WS | -6.34 | Relay (... Calculated Property | |
| logPoct/wat | 5.081 | Crippen Calculated Property | |
| McVol | 239.110 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| Tboil | 640.60 | K | Relay (... Calculated Property |
| Tc | 974.53 | K | Relay (... Calculated Property |
| Tfus | 436.92 | K | Relay (... Calculated Property |
| Vc | 0.805 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Trityl isothiocyanate.
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
- Joback Method
- McGowan Method
- NIST Webbook
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