Chemical Properties of Cyclohexylisocyanate (CAS 3173-53-3)

Cyclohexylisocyanate

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

InChI
InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChI Key
KQWGXHWJMSMDJJ-UHFFFAOYSA-N
Formula
C7H11NO
SMILES
O=C=NC1CCCCC1
Molecular Weight1
125.17
CAS
3173-53-3
Other Names
  • Cyclohexyl ester of isocyanic acid
  • Cyclohexyl isocyanate
  • Isocyanatocyclohexane
  • Isocyanic acid, cyclohexyl ester
  • NSC 87419
  • UN 2488
Sources

Physical Properties

Property Value Unit Source
Δfgas -138.90 kJ/mol Joback Calculated Property
Δvap 41.14 kJ/mol Joback Calculated Property
logPoct/wat 1.65 Crippen Calculated Property
Pc 3853.09 kPa Joback Calculated Property
Tboil 445.78 K Joback Calculated Property
Tc 661.40 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C= 1
>CH- (ring) 1
=O 1
-CH2- (ring) 5
-N= 1

Similar Compounds

Cyclohexane, isothiocyanato-. Hexane, 1-isocyanato-. 1,6-Hexamethylene diisocyanate. Dicyclohexylcarbodiimide. N-heptyl isocyanate. Decamethylene diisocyanate. Octane, 1-isocyanato-. Octadecane, 1-isocyanato-. Dodecane, 1-isocyanato-. Cyclododecyl isothiocyanate. 3-Heptyl isothiocyanate. Formamidine, 1-cyclohexyl-3,3-dimethyl. (CH3)2N-CH=N-(c-hexyl). 2-Heptane isothiocyanate. 2-Octane isothiocyanate.

Find more compounds similar to Cyclohexylisocyanate.

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.