- InChI
- InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
- InChI Key
- OQURWGJAWSLGQG-UHFFFAOYSA-N
- Formula
- C4H7NO
- SMILES
- CCCN=C=O
- Molecular Weight1
- 85.10
- CAS
- 110-78-1
- Other Names
-
- 1-Isocyanatopropane
- 1-Propyl isocyanate
- Isocyanic acid n-propyl ester
- Isocyanic acid, propyl ester
- Propyl isocyanate
- UN 2482
- n-Propyl isocyanate
- 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).
- 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 | -131.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.03 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 0.732 | Crippen Calculated Property | |
| McVol | 74.470 | ml/mol | McGowan Calculated Property |
| Pc | 4283.05 | kPa | Joback Calculated Property |
| Tboil | 357.59 | K | Joback Calculated Property |
| Tc | 536.84 | K | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [268.32; 395.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43542e+01 | |||
| Coefficient B | -3.20748e+03 | |||
| Coefficient C | -4.02990e+01 | |||
| Temperature range, min. | 268.32 | |||
| Temperature range, max. | 395.00 | |||
| Pvap | 1.33 | kPa | 268.32 | Calculated Property |
| Pvap | 3.02 | kPa | 282.40 | Calculated Property |
| Pvap | 6.25 | kPa | 296.47 | Calculated Property |
| Pvap | 12.01 | kPa | 310.55 | Calculated Property |
| Pvap | 21.61 | kPa | 324.62 | Calculated Property |
| Pvap | 36.79 | kPa | 338.70 | Calculated Property |
| Pvap | 59.70 | kPa | 352.77 | Calculated Property |
| Pvap | 92.93 | kPa | 366.85 | Calculated Property |
| Pvap | 139.45 | kPa | 380.92 | Calculated Property |
| Pvap | 202.63 | kPa | 395.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-isocyanato-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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