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Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
14807-96-6
[RN]
215-683-2
[EINECS/ELINCS]
231-716-3
[EINECS/ELINCS]
238-877-9
[EINECS/ELINCS]
Oxosilanediol
silicic acid (H_2_SiO_3_)
10193-36-9
[RN]
12673-75-5
[RN]
1343-98-2
[RN]
158296-67-4
[RN]
More...
20761-29-9
[RN]
231-545-4
[EINECS/ELINCS]
62647-19-2
[RN]
68373-08-0
[RN]
7699-41-4
[RN]
84141-05-9
[RN]
9063-16-5
[RN]
98530-20-2
[RN]
Acidum silicicum
Bio-Sil
Cubosic
EINECS 215-683-2
EINECS 231-716-3
H-Ilerit
Hydrosilisic acid
K 320DS
K 60 (silicate)
Kieselsaure
[German]
metasilicic acid
Mikronisil
Neoxyl ET
Polyorthosilicic acid
Polysilicic acid
Precipitated, and gel [Silica, amorphous]
Silica acid
Silica gel
Silicic acid
Silicic acid (H2SiO3)
Silicic acid (polyortho)
Silicic acid hydrate
SILICON HYDROXIDE
Silton TF 06
Sipernat 17
Sipernat 50
Sipernat 50S
Sipernat D 10
Sipernat S
Talc (Mg3H2(SiO3)4)
Vulcasil S/GR
Zeosil 45
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Edit
Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
288772_SIAL
306363_SIAL
60780_FLUKA
Caswell No. 734
EPA Pesticide Chemical Code 072602
G 952
K 60
SIL350_SIGMA
SILA200_SIGMA
SILAW_SIGMA
More...
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -1.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 549.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 219.74 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.29E-014 (Modified Grain method)
Subcooled liquid VP: 1.55E-012 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -1.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : Incomplete
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.326E-021 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7104
Biowin2 (Non-Linear Model) : 0.8699
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0266 (weeks )
Biowin4 (Primary Survey Model) : 3.7351 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4798
Biowin6 (MITI Non-Linear Model): 0.5673
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.07E-010 Pa (1.55E-012 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.45E+004
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 6.9000 E-12 cm3/molecule-sec
Half-Life = 1.550 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 18.602 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 35.04
Log Koc: 1.545
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: -1.50 (estimated)
Volatilization from Water:
Henry LC: 1.33E-021 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 3.903E+017 hours (1.626E+016 days)
Half-Life from Model Lake : 4.258E+018 hours (1.774E+017 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.58e-008 37.2 1000
Water 39 360 1000
Soil 60.9 720 1000
Sediment 0.0713 3.24e+003 0
Persistence Time: 579 hr
Descriptors:
0, 0, 0, 2, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0, 0
| Category | Target | PDB Code | LASSO Score |
| Other Enzymes | ALR2, aldose reductase | 1ah3 | 1.00 |
| Folate Enzymes | GART, glycinamide ribonucleotide transformylase | 1c2t | 0.99 |
| Folate Enzymes | DHFR, dihydrofolate reductase | 3dfr | 0.96 |
| Other Enzymes | PNP, purine nucleoside phosphorylase | 1b8o | 0.34 |
| Kinases | CDK2, cyclindependent kinase 2 | 1ckp | 0.26 |
| Metalloenzymes | ACE, angiotensin-converting enzyme | 1o86 | 0.20 |
| Other Enzymes | COX-1, cyclooxygenase-1 | 1p4g | 0.19 |
| Nuclear Hormone Receptors | PPARg, peroxisome proliferator activated receptor | 1fm9 | 0.11 |
| Other Enzymes | NA, neuraminidase | 1a4g | 0.05 |
| Other Enzymes | AmpC, AmpC beta-lactamase | 1xgj | 0.05 |
| Kinases | SRC, tyrosine kinase SRC | 2src | 0.02 |
| Kinases | HSP90, human heat shock protein 90 | 1uy6 | 0.02 |
| Other Enzymes | SAHH, S-adenosyl-homocysteine hydrolase | 1a7a | 0.02 |
| Other Enzymes | HMGR, hydroxymethylglutaryl-CoA reductase | 1hw8 | 0.01 |
| Kinases | FGFr1, fibroblast growth factor receptor kinase | 1agw | 0.01 |
| Metalloenzymes | ADA, adenosine deaminase | 1stw | 0.01 |
| Kinases | VEGFr2, vascular endothelial growth factor receptor | 1vr2 | 0.00 |
| Nuclear Hormone Receptors | ER, estrogen receptor; agonist | 1l2i | 0.00 |
| Other Enzymes | GPB, glycogen phosphorylase | 1a8i | 0.00 |
| Nuclear Hormone Receptors | PR, progesterone receptor | 1sr7 | 0.00 |
| Other Enzymes | HIVPR, HIV protease | 1hpx | 0.00 |
| Other Enzymes | HIVRT, HIV reverse transcriptase | 1rt1 | 0.00 |
| Nuclear Hormone Receptors | MR, mineralocorticoid receptor | 2aa2 | 0.00 |
| Kinases | TK, thymidine kinase | 1kim | 0.00 |
| Kinases | EGFr, epidermal growth factor receptor | 1m17 | 0.00 |
| Nuclear Hormone Receptors | AR, androgen receptor | 1xq2 | 0.00 |
| Nuclear Hormone Receptors | RXRa, retinoic X receptor R | 1mvc | 0.00 |
| Kinases | PDGFrb, platelet derived growth factor receptor kinase | N/A | 0.00 |
| Other Enzymes | PARP, poly(ADP-ribose) polymerase | 1efy | 0.00 |
| Metalloenzymes | COMT, catechol O-methyltransferase | 1h1d | 0.00 |
| Other Enzymes | COX-2, cyclooxygenase-2 | 1cx2 | 0.00 |
| Other Enzymes | AChE, acetylcholinesterase | 1eve | 0.00 |
| Kinases | P38 MAP, P38 mitogen activated protein | 1kv2 | 0.00 |
| Serine Proteases | FXa, factor Xa | 1f0r | 0.00 |
| Serine Proteases | Thrombin | 1ba8 | 0.00 |
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