Chemical Properties of Butane, 1-isocyanato- (CAS 111-36-4)

Butane, 1-isocyanato-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
InChI Key
HNHVTXYLRVGMHD-UHFFFAOYSA-N
Formula
C5H9NO
SMILES
CCCCN=C=O
Molecular Weight1
99.13
CAS
111-36-4
Other Names
  • 1-Butyl isocyanate
  • 1-Isocyanatobutane
  • BIC
  • Butyl isocyanate
  • Isocyanic acid n-butyl ester
  • Isocyanic acid, butyl ester
  • UN 2485
  • n-Butyl isocyanate
  • n-C4H9NCO
Sources

Physical Properties

Property Value Unit Source
Δfgas -151.94 kJ/mol Joback Calculated Property
Δvap 36.26 kJ/mol Joback Calculated Property
IE 10.14 ± 0.05 eV NIST
logPoct/wat 1.12 Crippen Calculated Property
Pc 3791.65 kPa Joback Calculated Property
Tboil 388.00 ± 4.00 K NIST
Tc 559.17 K Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 46.80 kJ/mol 331.0 NIST
ΔvapH 38.50 kJ/mol 340.5 NIST

Molecular Descriptors

Joback and Reid Groups
-N= 1
=C= 1
-CH3 1
-CH2- 3
=O 1

Similar Compounds

Propane, 1-isocyanato-. Hexane, 1-isocyanato-. 1,6-Hexamethylene diisocyanate. Propane, 1-isocyanato-2-methyl-. N-heptyl isocyanate. Octadecane, 1-isocyanato-. Dodecane, 1-isocyanato-. Decamethylene diisocyanate. Octane, 1-isocyanato-. Ethane, isocyanato-. Butane, 1-isothiocyanato-. 1-Pyrroline. 1-Pyrroline. Propane, 2-isocyanato-2-methyl-. N-pentyl isothiocyanate.

Find more compounds similar to Butane, 1-isocyanato-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.