Stoddard solvent

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Published data in readily available literature. Methods of determination are not specified.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Published data in readily available literature. Methods of determination are not specified.

GLP compliance:

not specified

Type of method:

other: Literature data

Water solubility:

< 0.1 vol%

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: Stoddard solvent is negligible soluble in water <0.1% by weight in water at 25 °C.

Details on results:

Stoddard solvent is negligible soluble in water <0.1% by weight in water at 25 °C.

Conclusions:

Stoddard solvent is negligible soluble in water <0.1% by weight in water at 25 °C.

Executive summary:

Stoddard solvent is negligible soluble in water

Reference 2

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

not applicable

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

QSAR prediction:US EPA accepted QSAR method for organic chemicals properties assessment.

Qualifier:

no guideline required

Principles of method if other than guideline:

QSAR method

GLP compliance:

no

Remarks:

QSAR method

Type of method:

other: QSAR

Water solubility:

0.092 mg/L

Temp.:

25 °C

pH:

7

Overview of QSARs estimationsonWater Solubility of Stoddard solvent

 

Method	Results	Remarks	Reference
QSAR estimate	Water Sol (v1.01 est): 0.091706 mg/L  Experimental Water Solubility Database Match: Name : N-DECANE CAS Num : 000124-18-5 Exp WSol : 0.052 mg/L (25 deg C) Exp Ref : YALKOWSKY,SH & DANNENFELSER,RM (1992) SMILES : CCCCCCCCCC CHEM : Stoddard solvent MOL FOR: C10 H22 MOL WT : 142.29 TYPE | NUM | WATER SOLUBILITY FRAGMENT DESCRIPTION | COEFF | VALUE - Frag | 2 | -CH3 [aliphatic carbon] |-0.3213 | -0.6425 Frag | 8 | -CH2- [aliphatic carbon] |-0.5370 | -4.2962 Factor| 1 | Hydrocarbon [unsubst. alkane] correction |-1.5013 | -1.5013 Const | | Equation Constant | | 0.2492 Log Water Sol (moles/L) at 25 dec C = -6.1908 Water Solubility (mg/L) at 25 dec C = 0.091706	Valid with restrictions (2); QSAR method; Estimated values	WATERNT (v.1.01)

 

Conclusions:

Substance is predicted by QSAR method to be insoluble ( 0.091706 mg/l) in water.
Interpretation of results: insoluble (< 0.1 mg/L)

Executive summary:

Substance is predicted by QSAR method to be insoluble ( 0.091706 mg/l) in water.

Reference 3

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

not applicable

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

QSAR prediction: US EPA accepted QSAR method for organic chemicals properties assessment.

Qualifier:

no guideline required

Principles of method if other than guideline:

QSAR method (WSKOW v1.42)

GLP compliance:

no

Remarks:

QSAR method

Type of method:

other: QSAR

Water solubility:

1.252 mg/L

Temp.:

25 °C

pH:

7

Remarks on result:

other: WSKOW v1.42

Overview of QSARs estimationsonWater Solubility of Stoddard solvent

 

 

Method	Results	Remarks	Reference
QSAR estimate	Water Sol: 1.252 mg/L  Experimental Water Solubility Database Match: Name : N-DECANE CAS Num : 000124-18-5 Exp WSol : 0.052 mg/L (25 deg C) Exp Ref : YALKOWSKY,SH & DANNENFELSER,RM (1992) SMILES : CCCCCCCCCC CHEM : Stoddard solvent MOL FOR: C10 H22 MOL WT : 142.29 WSKOW v1.42 Results Log Kow (estimated) : 5.25 Log Kow (experimental): 5.01 Cas No: 000124-18-5 Name : N-DECANE Refer : COATES,M ET AL. (1985) Log Kow used by Water solubility estimates: 5.01 Equation Used to Make Water Sol estimate: Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction (used when Melting Point NOT available) Correction(s): Value Hydrocarbon -0.537 Log Water Solubility (in moles/L) : -5.055 Water Solubility at 25 deg C (mg/L): 1.252	Valid with restrictions (2); QSAR method; Estimated values	WSKOW v1.42

 

Conclusions:

Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be negligible soluble ( 1.252 mg/l) in water.
Stoddard solvent is negligible soluble in water

Executive summary:

Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be negligible soluble ( 1.252 mg/l) in water.

Description of key information

Stoddard solvent is negligible soluble in water <0.1% by weight in water at 25 °C.

 

Substance is predicted by QSAR method to be insoluble ( 0.091706 mg/l) in water.

Interpretation of results: insoluble (< 0.1 mg/L)

Key value for chemical safety assessment

Water solubility:

0.1 mg/L

at the temperature of:

25 °C