Octadecanedioic acid
C18H34O4
871-70-5 Copyright (C) 2023 ACS
 22 21  0  0  0  0  0  0  0  0999 V2000
    4.0010    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0055    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0067    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0067    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3403    1.5400    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
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
> <cas.rn>
871-70-5

> <cas.index.name>
Octadecanedioic acid

> <molecular.formula>
C18H34O4

> <molecular.weight>
314.46

> <melting.point.experimental>
118 °C

> <boiling.point.predicted>
480.9±18.0 °C    Press: 760 Torr

> <density.predicted>
0.998±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.48±0.10    Most Acidic Temp: 25 °C

$$$$
