Chemical Properties of 1,6-Hexamethylene diisocyanate (CAS 822-06-0)

1,6-Hexamethylene diisocyanate

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InChI
InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
InChI Key
RRAMGCGOFNQTLD-UHFFFAOYSA-N
Formula
C8H12N2O2
SMILES
O=C=NCCCCCCN=C=O
Molecular Weight1
168.19
CAS
822-06-0
Other Names
  • 1,6-Diisocyanatohexane
  • 1,6-Hexamethylene diisocyanate
  • 1,6-Hexylene diisocyanate
  • HDI
  • HMDI
  • Hexamethylene 1,6-diisocyanate
  • Hexamethylene diisocyanate
  • Hexane 1,6-diisocyanate
  • Isocyanic acid, diester with 1,6-hexanediol
  • Isocyanic acid, hexamethylene ester
  • Metyleno-bis-fenyloizocyjanian
  • NSC 11687
  • Szesciometylenodwuizocyjanian
  • TL 78
Sources

Physical Properties

Property Value Unit Source
Δfgas -219.27 kJ/mol Joback Calculated Property
Δvap 52.47 kJ/mol Joback Calculated Property
logPoct/wat 1.22 Crippen Calculated Property
Pc 2960.12 kPa Joback Calculated Property
liquid 420.10 J/mol×K NIST
Tboil 515.78 K Joback Calculated Property
Tc 700.81 K Joback Calculated Property
Ttriple 206.06 ± 0.01 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 299.20 J/mol×K 298.0 NIST
Cp,liquid 294.00 J/mol×K 298.15 NIST
Cp,liquid 294.00 J/mol×K 298.15 NIST
ΔfusH 18.64 kJ/mol 206.06 NIST
ΔfusH 18.64 kJ/mol 206.064 NIST
ΔfusH 18.64 kJ/mol 206.1 NIST
ΔfusS 90.46 J/mol×K 206.06 NIST
ΔfusS 90.46 J/mol×K 206.064 NIST

Molecular Descriptors

Joback and Reid Groups
=O 2
-CH2- 6
=C= 2
-N= 2

Similar Compounds

Hexane, 1-isocyanato-. N-heptyl isocyanate. Octadecane, 1-isocyanato-. Dodecane, 1-isocyanato-. Octane, 1-isocyanato-. Decamethylene diisocyanate. Butane, 1-isocyanato-. Propane, 1-isocyanato-. Isothiocyanic acid, hexamethylene ester. Cyclohexylisocyanate. Hexane, 1-isothiocyanato-. N-heptylisothiocyanate. Dodecyl isothiocyanate. Hexadecyl isothiocyanate. Nonyl isothiocyanate.

Find more compounds similar to 1,6-Hexamethylene diisocyanate.

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