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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Guideline:
other: no data
GLP compliance:
not specified
Water solubility:
16 g/L
Temp.:
15 °C
Remarks on result:
other: no additional data available

No more data on results.

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Endpoint:
water solubility
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Guideline:
other: no data
GLP compliance:
not specified
Water solubility:
18.5 g/L
Temp.:
20 °C
Remarks on result:
other: no additional data available

No more data on results.

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
no guideline followed
Principles of method if other than guideline:
see details on methods
GLP compliance:
not specified
Type of method:
other: no data
Water solubility:
23.3 g/L
Temp.:
25 °C
Remarks on result:
other: no additional data available
Details on results:
Solubilities are the followings :
Water = 188 mM = 23.3 g/L at 298.15 °K
Water/methanol to water/octanol : decrease from 190mM to 125 mM with a break after pentanol.

The paper also gives the enthalpies of solution for guaiacol in the mixtures, and in addition in pure octanol and in octanol saturated with water. It also gives the thermodynamic parameters for the transfer of guaiacol from water saturated with octanol to octanol saturated with water.

No more data on results.

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Endpoint:
water solubility
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Guideline:
other: no data
GLP compliance:
not specified
Water solubility:
ca. 14.3 - ca. 16.7 g/L
Remarks on result:
other: no additional data available

No more data on results.

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Secondary literature and calculation.
Qualifier:
no guideline required
Principles of method if other than guideline:
A direct evaluation of water solubility from the chemical structure
GLP compliance:
no
Type of method:
other: calculation
Water solubility:
54 g/L
Temp.:
25 °C
Details on results:
The new fragment scheme allows prediction with an average calculation error of 0.38 log units.

For guaiacol, predicted value is :
log Sw = -0.36 corresponding to Sw = 0.44 mol/L = 54 g/L

to be compared to literature value :
log Sw = -1.96 corresponding to Sw = 0.011 mol/L = 1.4 g/L
Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Secondary literature or calculation.
Qualifier:
no guideline required
GLP compliance:
no
Type of method:
other: calculation
Water solubility:
ca. 7.6 g/L
Details on results:
Calculated value for guaiacol :

log Sw = -1.211, giving Sw = 0.0615 mol/dm3 = 7.6 g/L

to be compared with literature value (Kühne et al. (1995)) :

log Sw = -1.960, giving Sw = 0.0110 mol/dm3 = 1.36 g/L
Conclusions:
Interpretation of results (migrated information): soluble (1000-10000 mg/L)

Description of key information

Range of water solubility: 14.3 to 23.3 g/L at , 15°C, 20°C or 25°.

Key value for chemical safety assessment

Additional information

Different values from reference handbooks were reported. No key study was selected and a "weight of evidence" approach was applied.