Chemical Properties of 4-Methyl-2-heptyn-4-ol (CAS 4376-16-3)

4-Methyl-2-heptyn-4-ol

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InChI
InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h9H,4,6H2,1-3H3
InChI Key
ZGPJPUGCDODKKH-UHFFFAOYSA-N
Formula
C8H14O
SMILES
CC#CC(C)(O)CCC
Molecular Weight1
126.20
CAS
4376-16-3
Sources

Physical Properties

Property Value Unit Source
Δf 85.30 kJ/mol Joback Calculated Property
Δfgas -97.13 kJ/mol Joback Calculated Property
Δfus 16.27 kJ/mol Joback Calculated Property
Δvap 50.94 kJ/mol Joback Calculated Property
logPoct/wat 1.56 Crippen Calculated Property
Pc 3399.94 kPa Joback Calculated Property
Tboil 480.39 K Joback Calculated Property
Tc 671.00 K Joback Calculated Property
Tfus 349.26 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 261.45 J/mol×K 480.39 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Methyl-2-octyn-4-ol. 1-Hexyn-3-ol, 3-methyl-. 3-Methyl-4-hexyn-3-ol. 4,7-Dimethyl-5-decyne-4,7-diol. 2,4,7,9-Tetramethyl-5-decyn-4,7-diol. 2-Heptyn-4-ol. 1-Hexyn-3-ol, 3,5-dimethyl-. 2-Methyl-5-octyn-4-ol. 3,6-Dimethyl-4-octyn-3,6-diol. 3,6-Dimethyl-1-heptyn-3-ol. 3-Methyl-6-hepten-1-yn-3-ol. 3-Methyl-1-nonyne-3-ol. 1-Ethynylcyclopentanol. 3,6-Dimethyl-6-hepten-4-yn-3-ol. 1-Dodecyn-3-ol, 3,7,11-trimethyl.

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