Chemical Properties of 3-Dodecyne (CAS 6790-27-8)

3-Dodecyne

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InChI
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-5,7,9-12H2,1-2H3
InChI Key
ZFAGQZXKTQFQLE-UHFFFAOYSA-N
Formula
C12H22
SMILES
CCC#CCCCCCCCC
Molecular Weight1
166.30
CAS
6790-27-8
Other Names
  • 3-C12H22
Sources

Physical Properties

Property Value Unit Source
Δf 252.96 kJ/mol Joback Calculated Property
Δfgas -18.71 kJ/mol Joback Calculated Property
Δfus 29.96 kJ/mol Joback Calculated Property
Δvap 44.46 kJ/mol Joback Calculated Property
IE 9.17 ± 0.02 eV NIST
logPoct/wat 4.15 Crippen Calculated Property
Pc 2047.46 kPa Joback Calculated Property
Tboil 482.96 K Joback Calculated Property
Tc 664.00 K Joback Calculated Property
Tfus 331.10 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 376.85 J/mol×K 482.96 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-CH2- 8
-CH3 2

Similar Compounds

2-Dodecyne. 6-Tetradecyne. 9-Octadecyne. 9-Eicosyne. 4-Tridecyne. 5-Octadecyne. Cyclooctyne. 3-Eicosyne. Cycloundecyne. 3-Hexadecyne. 8-Hexadecyne. 5-Tridecyne. 3-Tridecyne. 2-TETRADECYNE. 3-Undecyne.

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