Formula |
C5H9NO |
IUPAC Name |
1-isocyanato-2-methyl-propane |
Molecular Mass |
99.131 g·mol−1 |
Heat of Formation |
-176.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.57 ± 1.08 D |
Volume |
139.15 Å 3 |
Surface Area |
146.66 Å 2 |
HOMO Energy |
-10.22 ± 0.55 eV |
LUMO Energy |
3.56 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1-isocyanato-2-methyl-propane
- 2-methylpropyl isocyanate
- 2-methylpropylisocyanate
- isobutyl isocyanate [un2486] [flammable liquid]
- isocyanic acid, isobutyl ester
- propane, 1-isocyanato-2-methyl-
|
CAS Number(s) |
|
InChIKey |
NNZVKALEGZPYKL-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|