Chemical Properties of 3-Hexyne-2,5-diol, 2,5-dimethyl- (CAS 142-30-3)

3-Hexyne-2,5-diol, 2,5-dimethyl-

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InChI
InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3
InChI Key
IHJUECRFYCQBMW-UHFFFAOYSA-N
Formula
C8H14O2
SMILES
CC(C)(O)C#CC(C)(C)O
Molecular Weight1
142.20
CAS
142-30-3
Other Names
  • 2,5-Dimethyl-3-hexyne-2,5-diol
  • 2,5-dimethylhexyne-2,5-diol
  • D 43
  • Dimethylhexynediol
  • Kemitracin-50
  • Tetramethylbutynediol
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4763.20 ± 1.40 kJ/mol NIST
Δcsolid -4776.40 ± 2.40 kJ/mol NIST
Δf -48.68 kJ/mol Joback Calculated Property
Δfgas -258.11 kJ/mol Joback Calculated Property
Δfsolid -386.00 ± 3.30 kJ/mol NIST
Δfsolid -385.70 ± 1.40 kJ/mol NIST
Δfus 12.95 kJ/mol Joback Calculated Property
Δsub 106.70 ± 0.90 kJ/mol NIST
Δvap 82.80 ± 1.00 kJ/mol NIST
IE 9.70 eV NIST
logPoct/wat 0.53 Crippen Calculated Property
Pc 3886.79 kPa Joback Calculated Property
Tboil 478.65 ± 2.00 K NIST
Tboil 395.20 K NIST
Tboil 470.50 ± 2.50 K NIST
Tc 760.19 K Joback Calculated Property
Tfus 367.65 ± 1.00 K NIST
Tfus 368.00 ± 3.00 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 313.60 J/mol×K 569.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-OH (alcohol) 2
-CH3 4
>C< 2

Similar Compounds

2,5-Dihydroperoxy-2,5-dimethylhex-3-yne. 3-Hexyne-2,5-diol. 2-Methyl-3-pentyn-2-ol. 3,6-Dimethyl-4-octyn-3,6-diol. 3-Hexyn-2-ol. 4,7-Dimethyl-5-decyne-4,7-diol. 5-Hexen-3-yn-2-ol, 2-methyl-. 3-Methyl-4-hexyn-3-ol. 4-Heptyn-3-ol. 2,4,7,9-Tetramethyl-5-decyn-4,7-diol. 4-Hexyn-3-ol. 3-Pentyn-2-ol. 3-Butyn-2-ol, 2-methyl-. 2,7-Dimethyloctadiyne-3,5-diol-2,7. 5-Methyl-5-hexen-3-yn-2-ol.

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