- InChI
- InChI=1S/C15H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17/h2-14H2,1H3
- InChI Key
- PMVOXLZEOLARED-UHFFFAOYSA-N
- Formula
- C15H29NS
- SMILES
- CCCCCCCCCCCCCCN=C=S
- Molecular Weight1
- 255.46
- CAS
- 3224-48-4
- 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 | 0.7272 | Relay (... Calculated Property | |
| ΔfG° | 233.34 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -160.81 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 88.93 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -6.95 | Relay (... Calculated Property | |
| logPoct/wat | 5.790 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Tboil | 573.52 | K | Relay (... Calculated Property |
| Tc | 773.58 | K | Relay (... Calculated Property |
| Tfus | 315.73 | K | Relay (... Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Tetradecyl 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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