- InChI
- InChI=1S/C2H3NO/c1-3-2-4/h1H3
- InChI Key
- HAMGRBXTJNITHG-UHFFFAOYSA-N
- Formula
- C2H3NO
- SMILES
- CN=C=O
- Molecular Weight1
- 57.05
- CAS
- 624-83-9
- Other Names
-
- CH3NCO
- ISO-CYANOMETHANE
- Isocyanate de methyle
- Isocyanatomethane
- MIC
- Methyl carbonimide
- Methyl isocyanat
- Methylisocyanaat
- Methylisokyanat
- Metil isocianato
- NSC 64323
- Rcra waste number P064
- TL 1450
- UN 2480
- isocyanic acid, methyl ester
- methyl isocyanate
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2780 | KDB | |
| PAff | 764.40 | kJ/mol | NIST |
| BasG | 732.00 | kJ/mol | NIST |
| ΔfH°gas | -90.00 | kJ/mol | KDB |
| IE | 10.67 ± 0.02 | eV | NIST |
| logPoct/wat | -0.048 | Crippen Calculated Property | |
| McVol | 46.290 | ml/mol | McGowan Calculated Property |
| Pc | 5570.00 | kPa | KDB |
| Inp | [96.70; 502.00] |
|
|
| Inp | 502.00 | NIST | |
| Inp | 96.70 | NIST | |
| Inp | 502.00 | NIST | |
| Tboil | [312.00; 312.25] | K |
|
| Tboil | 312.00 | K | KDB |
| Tboil | 312.25 | K | NIST |
| Tc | 491.00 | K | KDB |
| Ttriple | 178.46 | K | Entropy, related thermodynamic properties, and structure of methylisocyanate |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [29.90; 31.70] | kJ/mol | [281.50; 286.50] |
|
| ΔvapH | 31.70 | kJ/mol | 281.50 | NIST |
| ΔvapH | 29.90 | kJ/mol | 286.50 | NIST |
| ρl | 958.00 | kg/m3 | 293.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [233.02; 332.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.34035e+01 | |||
| Coefficient B | -2.10799e+03 | |||
| Coefficient C | -7.23020e+01 | |||
| Temperature range, min. | 233.02 | |||
| Temperature range, max. | 332.80 | |||
| Pvap | 1.33 | kPa | 233.02 | Calculated Property |
| Pvap | 3.11 | kPa | 244.11 | Calculated Property |
| Pvap | 6.54 | kPa | 255.19 | Calculated Property |
| Pvap | 12.63 | kPa | 266.28 | Calculated Property |
| Pvap | 22.73 | kPa | 277.37 | Calculated Property |
| Pvap | 38.52 | kPa | 288.45 | Calculated Property |
| Pvap | 61.99 | kPa | 299.54 | Calculated Property |
| Pvap | 95.44 | kPa | 310.63 | Calculated Property |
| Pvap | 141.41 | kPa | 321.71 | Calculated Property |
| Pvap | 202.63 | kPa | 332.80 | Calculated Property |
| Pvap | [1.02; 5244.85] | kPa | [230.00; 505.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.55185e+02 | |||
| Coefficient B | -8.94924e+03 | |||
| Coefficient C | -2.15877e+01 | |||
| Coefficient D | 2.14699e-05 | |||
| Temperature range, min. | 230.00 | |||
| Temperature range, max. | 505.00 | |||
| Pvap | 1.02 | kPa | 230.00 | Calculated Property |
| Pvap | 9.09 | kPa | 260.56 | Calculated Property |
| Pvap | 43.83 | kPa | 291.11 | Calculated Property |
| Pvap | 140.88 | kPa | 321.67 | Calculated Property |
| Pvap | 345.33 | kPa | 352.22 | Calculated Property |
| Pvap | 705.54 | kPa | 382.78 | Calculated Property |
| Pvap | 1276.20 | kPa | 413.33 | Calculated Property |
| Pvap | 2131.89 | kPa | 443.89 | Calculated Property |
| Pvap | 3389.83 | kPa | 474.44 | Calculated Property |
| Pvap | 5244.85 | kPa | 505.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane, isocyanato-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Entropy, related thermodynamic properties, and structure of methylisocyanate
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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