3,3-Dimethyl-1-butanol
C6H14O
624-95-3 Copyright (C) 2023 ACS
  7  6  0  0  0  0  0  0  0  0999 V2000
    3.0800    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.8736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <cas.rn>
624-95-3

> <cas.index.name>
1-Butanol, 3,3-dimethyl-

> <molecular.formula>
C6H14O

> <molecular.weight>
102.17

> <melting.point.experimental>
-60 °C

> <boiling.point.experimental>
143 °C

> <density.experimental>
0.844 g/cm³    Temp: 15 °C

> <pka.predicted>
15.17±0.10    Most Acidic Temp: 25 °C

$$$$
