InChI=1/C2H6Cl2Si/c1-5(2,3)4/h1-2H3

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Search term: LIKFHECYJZWXFJ-UHFFFAOYAT
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Inherent Properties, Identifiers and References

ChemSpider ID:	6158
Empirical Formula:	C₂H₆Cl₂Si
Molecular Weight:	129.0605
Nominal Mass:	128 Da
Average Mass:	129.0605 Da
Monoisotopic Mass:	127.961582 Da

Systematic Name:

dichloro-dimethyl-silane

SMILES:

Cl[Si](Cl)(C)C

InChI:

InChI=1/C2H6Cl2Si/c1-5(2,3)4/h1-2H3

InChIKey:

LIKFHECYJZWXFJ-UHFFFAOYAT

Std. InChI:

InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3

Std. InChIKey:

LIKFHECYJZWXFJ-UHFFFAOYSA-N

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Wikipedia Article(s)

Dimethyldichlorosilane is a tetrahedral, organosilicon compound with the formula Si(CH₃)₂Cl₂. At room temperature it is a colorless liquid that readily reacts with water to form both linear and cyclic Si-O chains. Dimethyldichlorosilane is made on an industrial scale as the principal precursor to dimethylsilicone and polysilane compounds. Read more... or Edit at Wikipedia...

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Supplemental Information

Links & References

Inagaki Satoshi. Unique adsorption properties of organic–inorganic hybrid zeolite IEZ-1 with dimethylsilylene moieties, Chemical Communications, 2007

[DOI: 10.1039/b713466e]

User Data

experimental physchem properties

Melting Point: ca -76

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Melting Point: -86 C (? some sources quote -16C)

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Boiling Point: 69-70

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 70 C

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Flash Point: -5(23F)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Flash Point: -9 C

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Specific Gravity: 1.064

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Refraction Index: 1.4040

The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index

miscellaneous

Appearance: colourless liquid

Visual appearance of the given substance.

Stability: Stable. Reacts violently with water and alcohols. Highly flammable. Incompatible with strong oxidizing agents,water, alcohols, caustics, ammonia.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Safety: FLAMMABLE / IRRITANT

See Chemical Safety

Safety: Safety glasses, good ventilation.

See Chemical Safety

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

4-04-00-04111 (Beilstein Handbook Reference) [Beilstein]

Dichloro(dimethyl)silane

Dimethyldichlorosilane [UN1162] [Flammable liquid]

Dimethyl-dichlorsilan

Dimethyl-dichlorsilan [Czech]

Dow Corning product Z-1219

silane, dichlorodimethyl-

200-901-0 [EINECS/ELINCS]

75-78-5 [RN]

Dichlor(dimethyl)silan

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/Labs Predicted Properties

ACD/LogP:	3.18	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	3.18	ACD/LogD (pH 7.4):	3.18
ACD/BCF (pH 5.5):	154.53	ACD/BCF (pH 7.4):	154.53
ACD/KOC (pH 5.5):	1283.82	ACD/KOC (pH 7.4):	1283.82
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	0	Polar Surface Area:	0 Å²
Index of Refraction:	1.409	Molar Refractivity:	29.73 cm³
Molar Volume:	120 cm³	Polarizability:	11.78 10^-24cm³
Surface Tension:	18.1 dyne/cm	Density:	1.075 g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	29.87 kJ/mol
Boiling Point:	70 °C at 760 mmHg	Vapour Pressure:	143 mmHg at 25°C

MeSH

EPI Summary

            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  45.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -90.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  130  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -16 deg C
    BP  (exp database):  70.3 deg C
    VP  (exp database):  1.44E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1123
       log Kow used: 2.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  57.289 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.85E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.966E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.24  (KowWin est)
  Log Kaw used:  -0.121  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.361
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6861
   Biowin2 (Non-Linear Model)     :   0.7642
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9140  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6615  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3290
   Biowin6 (MITI Non-Linear Model):   0.2384
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6769
 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):  1.92E+004 Pa (144 mm Hg)
  Log Koa (Koawin est  ): 2.361
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.56E-010 
       Octanol/air (Koa) model:  5.64E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.64E-009 
       Mackay model           :  1.25E-008 
       Octanol/air (Koa) model:  4.51E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2992 E-12 cm3/molecule-sec
      Half-Life =    35.749 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.07E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 1.028 (BCF = 10.67)
       log Kow used: 2.24 (estimated)

 Volatilization from Water:
    Henry LC:  0.0185 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.195  hours
    Half-Life from Model Lake :      108.3  hours   (4.512 days)

 Removal In Wastewater Treatment:
    Total removal:              87.86  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.87  percent
    Total to Air:               86.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       51.1            858          1000       
   Water     42.4            360          1000       
   Soil      6.34            720          1000       
   Sediment  0.201           3.24e+003    0          
     Persistence Time: 147 hr

SimBioSys LASSO

Descriptors: 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0

Category	Target	PDB Code	LASSO Score
Nuclear Hormone Receptors	AR, androgen receptor	1xq2	0.97
Nuclear Hormone Receptors	GR, glucocorticoid receptor	1m2z	0.91
Nuclear Hormone Receptors	PR, progesterone receptor	1sr7	0.54
Other Enzymes	COX-2, cyclooxygenase-2	1cx2	0.30
Nuclear Hormone Receptors	ER, estrogen receptor; agonist	1l2i	0.17
Nuclear Hormone Receptors	MR, mineralocorticoid receptor	2aa2	0.13
Kinases	FGFr1, fibroblast growth factor receptor kinase	1agw	0.04
Other Enzymes	HIVRT, HIV reverse transcriptase	1rt1	0.03
Nuclear Hormone Receptors	PPARg, peroxisome proliferator activated receptor	1fm9	0.03
Kinases	HSP90, human heat shock protein 90	1uy6	0.02
Other Enzymes	HMGR, hydroxymethylglutaryl-CoA reductase	1hw8	0.02
Kinases	P38 MAP, P38 mitogen activated protein	1kv2	0.01
Kinases	SRC, tyrosine kinase SRC	2src	0.01
Other Enzymes	HIVPR, HIV protease	1hpx	0.01
Other Enzymes	PNP, purine nucleoside phosphorylase	1b8o	0.01
Nuclear Hormone Receptors	RXRa, retinoic X receptor R	1mvc	0.01
Other Enzymes	InhA, enoyl ACP reductase	1p44	0.01
Serine Proteases	Thrombin	1ba8	0.01
Other Enzymes	SAHH, S-adenosyl-homocysteine hydrolase	1a7a	0.01
Kinases	VEGFr2, vascular endothelial growth factor receptor	1vr2	0.01
Other Enzymes	COX-1, cyclooxygenase-1	1p4g	0.01
Other Enzymes	PARP, poly(ADP-ribose) polymerase	1efy	0.01
Kinases	PDGFrb, platelet derived growth factor receptor kinase	N/A	0.00
Other Enzymes	AmpC, AmpC beta-lactamase	1xgj	0.00
Folate Enzymes	DHFR, dihydrofolate reductase	3dfr	0.00
Other Enzymes	GPB, glycogen phosphorylase	1a8i	0.00
Metalloenzymes	ACE, angiotensin-converting enzyme	1o86	0.00
Kinases	TK, thymidine kinase	1kim	0.00
Other Enzymes	AChE, acetylcholinesterase	1eve	0.00
Serine Proteases	FXa, factor Xa	1f0r	0.00
Folate Enzymes	GART, glycinamide ribonucleotide transformylase	1c2t	0.00
Kinases	EGFr, epidermal growth factor receptor	1m17	0.00
Metalloenzymes	ADA, adenosine deaminase	1stw	0.00
Kinases	CDK2, cyclindependent kinase 2	1ckp	0.00
Metalloenzymes	COMT, catechol O-methyltransferase	1h1d	0.00
Other Enzymes	NA, neuraminidase	1a4g	0.00