Decamethylpentasiloxane (D5)
- SMILES
- C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)
(C) C) (C) C) (C) C) (C) C) C - CAS number
- 541-02-6
- Formula
- C10 H30 O5 Si5
- Molecular weight
370.78 g/mol - Melting point
-
-44 tM/°C reference 1 - Entropy of fusion
-
not specified ΔfusS/J K-1 mol-1
Vapor pressure
| t/°C | PS/Pa | PL/Pa | log (PL/Pa) | method and notes | reference |
|---|---|---|---|---|---|
| 25 | 29.1 | 26.7 | 1.43 | EPI Suite estimation | |
| 25 | 56.2 | 1.75 | COSMOtherm calculation | 2 | |
| 25 | 13.8 | 1.14 | SPARC estimation | 2 | |
| 25 | 30.9 | 1.49 | Mazzoni et al. | 2 | |
| 25 | 25.1 | 1.4 | Ahmed et al. | 2 | |
| 25 | 20.4 | 1.31 | Lei et al. | 2 |
Water solubility
| t/°C | SWS/mol m-3 | SWL/mol m-3 | log (SWL/mol m-3) | method and notes | reference |
|---|---|---|---|---|---|
| 25 | 1.74E-4 | -3.76 | COSMOtherm calculation | 2 | |
| 25 | 1.17E-4 | -3.93 | SPARC estimation | 2 | |
| 25 | 5.25E-5 | -4.28 | WATERNT (EPI Suite) | 2 | |
| 25 | 1.91E-5 | -4.72 | WSKOW (EPI Suite) | 2 | |
| 25 | 4.57E-5 | -4.34 | Mazzoni et al. | 2 | |
| 25 | 6.76E-6 | -5.17 | Ahmed et al. | 2 | |
| 25 | 4.57E-5 | -4.34 | Varaprath et al. | 2 |
Henry's law constant
| t/°C | H/Pa m3 mol-1 | KAW | log (KAW) | method and notes | reference |
|---|---|---|---|---|---|
| 25 | 9.93 | 0.997 | EPI Suite estimation | ||
| 25 | 132 | 2.12 | COSMOtherm calculation | 2 | |
| 25 | 46.8 | 1.67 | SPARC estimation | 2 | |
| 25 | 269 | 2.43 | Mazzoni et al. | 2 | |
| 25 | 7.08 | 0.85 | David et al. | 2 | |
| 25 | 10.7 | 1.03 | Kochetkov et al. | 2 | |
| 25 | 1.41E+3 | 3.15 | Xu & Kropscott | 2 |
Octanol-water partition ratio
| t/°C | KOW | log (KOW) | method and notes | reference |
|---|---|---|---|---|
| 25 | 8.51E+7 | 7.93 | EPI Suite estimation | |
| 25 | 9.12E+6 | 6.96 | COSMOtherm calculation | 2 |
| 25 | 3.16E+8 | 8.5 | SPARC estimation | 2 |
| 25 | 5.13E+5 | 5.71 | Mazzoni et al. | 2 |
| 25 | 6.03E+8 | 8.78 | Ahmed et al. | 2 |
| 25 | 1.58E+5 | 5.2 | Bruggeman et al. | 2 |
| 25 | 6.76E+4 | 4.83 | IUCLID 2005 | 2 |
| 25 | 1.20E+8 | 8.08 | Xu & Kropscott | 2 |
Octanol-air partition ratio
| t/°C | KOA | log (KOA) | method and notes | reference |
|---|---|---|---|---|
| 25 | 8.57E+6 | 6.93 | EPI Suite estimation | |
| 25 | 8.91E+4 | 4.95 | COSMOtherm calculation | 2 |
| 25 | 1.32E+7 | 7.12 | SPARC estimation | 2 |
| 25 | 2.34E+5 | 5.37 | 2 | |
| 25 | 8.51E+4 | 4.93 | Xu & Kropscott | 2 |
| 25 | 8.91E+4 | 4.95 | Xu & Kropscott | 2 |
Half-life for degradation in air
| t/°C | half-life/day | method and notes | reference |
|---|---|---|---|
| 25 | 6.9 | EPI Suite estimation | |
| 25 | 4.2 | Extrapolated from measured reaction with ·OH | 3 |
| 25 | 4.0 | Extrapolated from measured reaction with ·OH | 4 |
| 25 | 6.8 | Extrapolated from measured reaction with ·OH | 5 |
| 25 | 6.9 | Selected as input for global tranport modeling | 7 |
Half-life for degradation in water
| t/°C | half-life/day | method and notes | reference |
|---|---|---|---|
| 25 | 38 | EPI Suite estimation | |
| 25 | 71 | Selected for global modeling based on EU risk assessment, ECHA 2010. | 6 |
| 25 | 70 | Selected as input for global tranport modeling | 7 |
References
- 1.
- http://www.chemicalbook.com/CASEN_541-02-6.htm
- 2.
- Buser, A.M., Schenker, S., Scheringer, M., Hungerbuehler, K. Journal of Chemical & Engineering Data, 2013, 58, 3170-3178.
- 3.
- Xiao, R., Zammit, I., Wei, Z., Hu, W.P., MacLeod, M., Spinney, R. Environmental Science & Technology 2015, 49, 13322-13330.
- 4.
- Safron, A., Strandell, M., Kierkegaard, A., MacLeod, M. International Journal of Chemical Kinetics 2015, 47, 420-428.
- 5.
- Atkinson, R. Environmental Science & Technology 1991 25, 863-866.
- 6.
- Gouin, T. Environmental Science & Policy 2010, 13, 175-184.
- 7.
- Xu, S., Wania, F. Chemosphere 2013, 93, 835-843.