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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2009-09-24
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods with acceptable restrictions
Remarks:
Test procedure in accordance with national standard methods (ASTM) without GLP.
Qualifier:
according to guideline
Guideline:
other: ASTM E 1148
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Key result
Water solubility:
107 mg/L
Temp.:
23 °C
pH:
5.5
Remarks on result:
other: The result is 107±20.5 mg/L
Details on results:
The analysis was performed in triplicate.
Trail 1 = 110 mg/L
Trail 2 = 80 mg/L
Trail 3 = 130 mg/L
Mean Concentration = 107 mg/L, Standard deviation: 20.5 mg/L

Measurement

Results: 110 mg/L / 80 mg/L / 130 mg/L

Mean Concentration in Water: 107 mg/L

Standard Deviation for These Data: ±20.5 mg/L

Conclusions:
A water solubility value of 107±20.5 mg/L at 23°C (moderately soluble) was determined for the substance using a relevant test method. The result is considered to be reliable.
Executive summary:

Octan-1-ol was determined according ASTM E 1148. The water solubility is 107 mg/L at 23 °C.

Description of key information

The water solubility of octan-1-ol is 107±20.5 mg/L at 23°C and pH 5.5

Key value for chemical safety assessment

Water solubility:
107 mg/L
at the temperature of:
20.5 °C

Additional information

A water solubility value of 107±20.5 mg/L at 23°C and pH 5.5 was determined for the substance using a flask method in accordance with ASTM E 1148. The result is considered to be reliable.

It is supported by a value of 551 mg/L at 25°C, taken from a reliable and definitive reference source for solubility data (Yalkowsky and Valvani, 1980), and a value of 500 mg/L at 25°C, taken from another reliable handbook source. These results are supported by predicted water solubility value of 560 mg/l at 25°C which was obtained for the substance using a validated QSAR estimation method.

In other available secondary sources to which reliability could not be assigned, water solubility values of 300 mg/l at 20°C and 495 -596 mg/l at 25°C were reported for the substance.

The value taken from literature for pure alcohol (551 mg/l from Yalkowsky and Valvani) is used in exposure modelling.

All the available results indicate that octan-1-ol is moderately soluble in water.

Discussion of trends in the Category of C6-24 linear and essentially-linear aliphatic alcohols:

As chain length increases, water solubility decreases, because the free energy required for a molecule to dissolve becomes less favourable for larger molecules.

Reference:

Yalkowsky and Valvani, 1980: J.Pharm Sci 69 912 (1980), taken from Satyanarayana, D.; Charyulu, R. Narayana; and Nagavi, B. G., Asian Journal of Chemistry (1997), 9(3), 418-426