Other names include 1-Isocyanatobutane, Butane, 1-isocyanato, n-butyl isocyanate, 1-Butyl isocyanate, and Isocyanic Acid Butyl Ester.
CAS no: 111-36-4
Properties
Generic Properties
| Property | Value | Unit |
|---|---|---|
| Chemical Formula | C5H9NO | - |
| Molecular Weight | 99.133 | - |
| Heat of Combustion | 25360.9 | kJ/kg |
Critical Properties
| Property | Value | Unit |
|---|---|---|
| Critical Temperature | 568 | K |
| Critical Pressure | 34.4 | bar |
| Critical Volume | 360 | cm3/mol |
| Critical Density | 0.2754 | g/cm3 |
| Critical Z | 0.262 | - |
| Accentric Factor | 0.415 | - |
Temperature Dependent Properties
Specific Heat
The specific heat at constant pressure can be calculated with the formula:
| Constant | Gas | Liquid | Solid |
|---|---|---|---|
| A | 25.162 | 43.088 | 5 |
| B | 0.31973 | 0.99802 | 0.50193 |
| C | 0.0000351 | -0.0028025 | - |
| D | -1.703E-07 | 3.7744E-06 | - |
| E | 5.8493E-11 | - | - |
| T min(K) | 298 | 266 | 149 |
| T max(K) | 1100 | 478 | 250 |
Heat of Formation
The heat of formation can be calculated with the formula:
| Constant | Value |
|---|---|
| A | -99.346 |
| B | -0.10944 |
| C | 0.000055955 |
| T min(K) | 298.15 |
| T max (K) | 1000 |
Viscosity
The viscosity can be calculated with the formula:
For liquid
For Gas
| Constant | Gas | Liquid |
|---|---|---|
| A | -10.724 | -8.191 |
| B | 0.2728 | 1139.5 |
| C | -0.000045547 | 0.0193 |
| D | - | -0.00001899 |
| T min(K) | 250 | 426 |
| T max(K) | 1000 | 539.6 |
Heat of Vaporization
The heat of vaporization can be calculated with the formula:
| Constant | Value |
|---|---|
| A | 56.246 |
| n | 0.388 |
| T min(K) | 193 |
| T max(K) | 568 |
Thermal Conductivity
The thermal conductivity can be calculated with the formula:
| Constant | Gas | Liquid |
|---|---|---|
| A | -0.0090038 | 0.2072 |
| B | 0.000055459 | -0.0001594 |
| C | 2.8408E-08 | -2.2436E-07 |
| T min(K) | 250 | 30 |
| T max(K) | 1000 | 498 |
Liquid Density
The Liquid Density can be calculated with the Equation:
| Constant | Value |
|---|---|
| A | 0.2754 |
| B | 0.2071 |
| n | 0.412 |
| T min(K) | 193 |
| T max(K) | 568 |
Diffusion Coefficient at Infinite Dilution in Water
The Diffusion Coefficient at Infinite Dilution in Water can be calculation:
| Constant | Value |
|---|---|
| A | -1.5256 |
| B | -1063.17 |
| T min(K) | 274 |
| T max(K) | 394 |
Diffusion Coefficient in Air
The Diffusion Coefficient in Air can be calculated with the Equation:
| Constant | Value |
|---|---|
| A | -0.0395 |
| B | 0.0002344 |
| C | 5.0044E-07 |
| T min(K) | 200 |
| T max(K) | 1000 |