Chemical Properties of 4-Hexyn-3-ol (CAS 20739-59-7)

4-Hexyn-3-ol

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InChI
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h6-7H,4H2,1-2H3
InChI Key
KARLLBDFLHNKBO-UHFFFAOYSA-N
Formula
C6H10O
SMILES
CC#CC(O)CC
Molecular Weight1
98.14
CAS
20739-59-7
Sources

Physical Properties

Property Value Unit Source
Δf 63.18 kJ/mol Joback Calculated Property
Δfgas -52.38 kJ/mol Joback Calculated Property
Δfus 14.98 kJ/mol Joback Calculated Property
Δvap 47.39 kJ/mol Joback Calculated Property
logPoct/wat 0.781 Crippen Calculated Property
Pc 4249.61 kPa Joback Calculated Property
Tboil 368.00 K NIST
Tc 624.36 K Joback Calculated Property
Tfus 309.30 K Joback Calculated Property
Vc 0.346 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 178.90 J/mol×K 437.42 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Heptyn-3-ol. 2-Heptyn-4-ol. 1-Pentyn-3-ol. 3-Pentyn-2-ol. 3-Hexyn-2-ol. 3-Methyl-4-hexyn-3-ol. 2-Hexyn-1-ol. 2-Methyl-3-pentyn-2-ol. 3-Hexyne-2,5-diol. 1-Hexyn-3-ol. 2-Methyl-5-octyn-4-ol. Meparfynol. 4-Heptyn-2-ol. 2-Heptyn-1-ol. 4-Pentyn-2-ol.

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