- InChI
- InChI=1S/C5H5NOS/c1-2-3-5(7)6-4-8/h2-3H,1H3/b3-2+
- InChI Key
- GGYYXENTGJDZTN-NSCUHMNNSA-N
- Formula
- C5H5NOS
- SMILES
- CC=CC(=O)N=C=S
- Molecular Weight1
- 127.16
- CAS
- 60034-28-8
- 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 | 0.3502 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 3.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 42.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.192 | Crippen Calculated Property | |
| McVol | 96.310 | ml/mol | McGowan Calculated Property |
| Pc | 4103.88 | kPa | Joback Calculated Property |
| Tboil | 428.03 | K | Relay (1.0) Calculated Property |
| Tc | 676.66 | K | Relay (1.0) Calculated Property |
| Tfus | 277.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Crotonyl 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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