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 |