- InChI
- InChI=1S/C2H3NS/c1-3-2-4/h1H3
- InChI Key
- LGDSHSYDSCRFAB-UHFFFAOYSA-N
- Formula
- C2H3NS
- SMILES
- CN=C=S
- Molecular Weight1
- 73.12
- CAS
- 556-61-6
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 199.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.49 | kJ/mol | Joback Calculated Property |
| log10WS | -1.00 | Aq. Sol... | |
| logPoct/wat | 0.719 | Crippen Calculated Property | |
| McVol | 56.770 | ml/mol | McGowan Calculated Property |
| Pc | 5190.64 | kPa | Joback Calculated Property |
| Inp | 742.00 | NIST | |
| Tboil | 391.11 | K | Joback Calculated Property |
| Tc | 617.59 | K | Joback Calculated Property |
| Tfus | 307.48 | K | Aq. Sol... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [284.56; 418.14] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51778e+01 | |||
| Coefficient B | -3.90615e+03 | |||
| Coefficient C | -2.22300e+01 | |||
| Temperature range, min. | 284.56 | |||
| Temperature range, max. | 418.14 | |||
| Pvap | 1.33 | kPa | 284.56 | Calculated Property |
| Pvap | 2.96 | kPa | 299.40 | Calculated Property |
| Pvap | 6.06 | kPa | 314.24 | Calculated Property |
| Pvap | 11.57 | kPa | 329.09 | Calculated Property |
| Pvap | 20.81 | kPa | 343.93 | Calculated Property |
| Pvap | 35.55 | kPa | 358.77 | Calculated Property |
| Pvap | 58.05 | kPa | 373.61 | Calculated Property |
| Pvap | 91.09 | kPa | 388.46 | Calculated Property |
| Pvap | 138.00 | kPa | 403.30 | Calculated Property |
| Pvap | 202.66 | kPa | 418.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl isothiocyanate.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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