- InChI
- InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3
- InChI Key
- WUDNUHPRLBTKOJ-UHFFFAOYSA-N
- Formula
- C3H5NO
- SMILES
- CCN=C=O
- Molecular Weight1
- 71.08
- CAS
- 109-90-0
- Other Names
-
- C2H5NCO
- Ethyl isocyanate
- Isocyanatoethane
- Isocyanic acid, ethyl ester
- UN 2481
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -110.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.80 | kJ/mol | Joback Calculated Property |
| IE | [10.10; 10.32] | eV |
|
| IE | 10.10 | eV | NIST |
| IE | 10.32 ± 0.05 | eV | NIST |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 0.342 | Crippen Calculated Property | |
| McVol | 60.380 | ml/mol | McGowan Calculated Property |
| Pc | 4876.56 | kPa | Joback Calculated Property |
| Tboil | 334.71 | K | Joback Calculated Property |
| Tc | 514.09 | K | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [249.52; 358.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52808e+01 | |||
| Coefficient B | -3.23484e+03 | |||
| Coefficient C | -3.37660e+01 | |||
| Temperature range, min. | 249.52 | |||
| Temperature range, max. | 358.25 | |||
| Pvap | 1.33 | kPa | 249.52 | Calculated Property |
| Pvap | 2.95 | kPa | 261.60 | Calculated Property |
| Pvap | 6.03 | kPa | 273.68 | Calculated Property |
| Pvap | 11.52 | kPa | 285.76 | Calculated Property |
| Pvap | 20.72 | kPa | 297.84 | Calculated Property |
| Pvap | 35.41 | kPa | 309.93 | Calculated Property |
| Pvap | 57.86 | kPa | 322.01 | Calculated Property |
| Pvap | 90.88 | kPa | 334.09 | Calculated Property |
| Pvap | 137.84 | kPa | 346.17 | Calculated Property |
| Pvap | 202.67 | kPa | 358.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, isocyanato-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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