<compilation>
 <compilers>Marie C. Haulait-Pirson</compilers>
 <dataset>
  <points>
   <conditions>
    <exponent>0</exponent>
    <number>5.0e+00</number>
    <property>Ambient temperature</property>
    <sigfigs>2</sigfigs>
    <significand>5.0</significand>
    <unit>&amp;deg;C</unit>
   </conditions>
   <data>
    <exponent>-7</exponent>
    <number>2.6e-07</number>
    <property>Mole fraction - Liquid (1)</property>
    <sigfigs>2</sigfigs>
    <significand>2.6</significand>
    <unit>1</unit>
   </data>
   <pntnum>1</pntnum>
   <supplemental>
    <exponent>-3</exponent>
    <number>1.65e-03</number>
    <property>Relative mass - solution (1)</property>
    <sigfigs>3</sigfigs>
    <significand>1.65</significand>
    <unit>g/kg</unit>
   </supplemental>
  </points>
  <points>
   <conditions>
    <exponent>1</exponent>
    <number>1.50e+01</number>
    <property>Ambient temperature</property>
    <sigfigs>3</sigfigs>
    <significand>1.50</significand>
    <unit>&amp;deg;C</unit>
   </conditions>
   <data>
    <exponent>-7</exponent>
    <number>1.4e-07</number>
    <property>Mole fraction - Liquid (1)</property>
    <sigfigs>2</sigfigs>
    <significand>1.4</significand>
    <unit>1</unit>
   </data>
   <pntnum>2</pntnum>
   <supplemental>
    <exponent>-4</exponent>
    <number>8.9e-04</number>
    <property>Relative mass - solution (1)</property>
    <sigfigs>2</sigfigs>
    <significand>8.9</significand>
    <unit>g/kg</unit>
   </supplemental>
  </points>
  <points>
   <conditions>
    <exponent>1</exponent>
    <number>4.50e+01</number>
    <property>Ambient temperature</property>
    <sigfigs>3</sigfigs>
    <significand>4.50</significand>
    <unit>&amp;deg;C</unit>
   </conditions>
   <data>
    <exponent>-7</exponent>
    <number>2.9e-07</number>
    <property>Mole fraction - Liquid (1)</property>
    <sigfigs>2</sigfigs>
    <significand>2.9</significand>
    <unit>1</unit>
   </data>
   <pntnum>3</pntnum>
   <supplemental>
    <exponent>-3</exponent>
    <number>1.84e-03</number>
    <property>Relative mass - solution (1)</property>
    <sigfigs>3</sigfigs>
    <significand>1.84</significand>
    <unit>g/kg</unit>
   </supplemental>
  </points>
  <series>1</series>
 </dataset>
 <keywords>Solubility, Solubility data series</keywords>
 <method>The saturation vessel is drawn in the original paper. (2) was saturated with (1) via the vapor phase:
 a few drops of (1) were put on the bottom of a tight-fitting flask containing a small flask filled with water. Complete saturation was reached by shaking overnight in an upright position. Samples were taken from the aqueous solution with a microsyringe through the septum and injected into the gas chromatograph equipped with a flame ionization detector. The gas chromatographic conditions are described in the paper.</method>
 <publisher>The International Union of Pure and Applied Chemistry</publisher>
 <sources>
  <citation>Nelson, H. D.; De Ligny, C. L.; Recl. Trav. Chim. Pays-Bas 1968, 87, 528-44.</citation>
  <pubtype>paper</pubtype>
  <url>https://doi.org/10.1002/recl.19680870505</url>
 </sources>
 <substances>
  <casrn>111-65-9</casrn>
  <constituent>1</constituent>
  <formula>C8H18</formula>
  <inchi>InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3</inchi>
  <inchikey>TVMXDCGIABBOFY-UHFFFAOYSA-N</inchikey>
  <molweight>114.229</molweight>
  <name>Octane</name>
  <sample>Fluka purum.</sample>
 </substances>
 <substances>
  <casrn>7732-18-5</casrn>
  <constituent>2</constituent>
  <formula>H2O</formula>
  <inchi>InChI=1S/H2O/h1H2</inchi>
  <inchikey>XLYOFNOQVPJJNP-UHFFFAOYSA-N</inchikey>
  <molweight>18.0153</molweight>
  <name>Water</name>
  <sample>tap-water was refluxed for 8 hours in the presence of KMnO&lt;sub&gt;4&lt;/sub&gt; and KOH and distilled. The whole process was repeated once more.</sample>
 </substances>
 <system>Octane with Water</system>
 <title>Solubility data from IUPAC SDS Volume 38 (page ?) - Octane with Water</title>
</compilation>