Chemical Properties of 3-Methyl-4-hexyn-3-ol (CAS 6320-68-9)

3-Methyl-4-hexyn-3-ol

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InChI
InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h8H,5H2,1-3H3
InChI Key
VLRDHNINMBNPDK-UHFFFAOYSA-N
Formula
C7H12O
SMILES
CC#CC(C)(O)CC
Molecular Weight1
112.17
CAS
6320-68-9
Sources

Physical Properties

Property Value Unit Source
Δf 76.88 kJ/mol Joback Calculated Property
Δfgas -76.49 kJ/mol Joback Calculated Property
Δfus 13.68 kJ/mol Joback Calculated Property
Δvap 48.71 kJ/mol Joback Calculated Property
logPoct/wat 1.171 Crippen Calculated Property
Pc 3815.10 kPa Joback Calculated Property
Tboil 457.51 K Joback Calculated Property
Tc 650.27 K Joback Calculated Property
Tfus 337.99 K Joback Calculated Property
Vc 0.398 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 220.44 J/mol×K 457.51 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-OH (alcohol) 1
-CH3 3
>C< 1
-CH2- 1

Similar Compounds

4-Methyl-2-heptyn-4-ol. Meparfynol. 4-Hexyn-3-ol. 4,6-Decadiyne-3,8-diol, 3,8-dimethyl-. 2-Methyl-3-pentyn-2-ol. 4-Methyl-2-octyn-4-ol. 3,6-Dimethyl-4-octyn-3,6-diol. 1-Pentyn-3-ol, 3-ethyl-. 4-Heptyn-3-ol. 1-Pentyn-3-ol, 3,4-dimethyl-. 3,6-Dimethyl-6-hepten-4-yn-3-ol. 1-Hexyn-3-ol, 3-methyl-. 2-Heptyn-4-ol. 5-Hexen-3-yn-2-ol, 2-methyl-. 4,7-Dimethyl-5-decyne-4,7-diol.

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