- InChI
- InChI=1S/C3H5NOS/c1-5-2-4-3-6/h2H2,1H3
- InChI Key
- SWHVODLGSMJMND-UHFFFAOYSA-N
- Formula
- C3H5NOS
- SMILES
- COCN=C=S
- Molecular Weight1
- 103.14
- CAS
- 19900-84-6
- Other Names
-
- Methane, isothiocyanatomethoxy-
- 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).
- I : Polar retention indices.
- 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 | 0.2790 | Relay (... Calculated Property | |
| ΔfG° | 98.93 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 1.48 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 | eV | Relay (... Calculated Property |
| log10WS | -0.96 | Relay (... Calculated Property | |
| logPoct/wat | 0.693 | Crippen Calculated Property | |
| McVol | 76.730 | ml/mol | McGowan Calculated Property |
| Pc | 4438.52 | kPa | Joback Calculated Property |
| I | [1533.00; 1533.00] |
|
|
| I | 1533.00 | NIST | |
| I | 1533.00 | NIST | |
| Tboil | 417.10 | K | Relay (... Calculated Property |
| Tc | 614.72 | K | Relay (... Calculated Property |
| Tfus | 227.75 | K | Relay (... Calculated Property |
| Vc | 0.265 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Methoxymethyl 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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