Home Page Flashcards Chloro(triethyl)silane C6H15ClSi structure - Flashcards

Chloro(triethyl)silane C6H15ClSi structure – Flashcards

Flashcard maker : Kaiya Hebert

Contents

Experimental Melting Point:
Experimental Boiling Point:
Experimental Flash Point:
Experimental Gravity:
Experimental Refraction Index:
Safety:
Retention Index (Kovats):
Retention Index (Normal Alkane):

Molecular Formula	C₆H₁₅ClSi
Average mass	150.722 Da
Density	0.9±0.1 g/cm³
Boiling Point	144.5±0.0 °C at 760 mmHg
Flash Point	29.4±0.0 °C
Molar Refractivity	43.4±0.3 cm³
Polarizability	17.2±0.5 10^-24cm³
Surface Tension	19.8±3.0 dyne/cm
Molar Volume	174.7±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – EPISuite
Predicted – ChemAxon

Experimental Physico-chemical Properties

Experimental Melting Point:

-75 °C SynQuest

-75 °C Alfa Aesar

-75 °C Jean-Claude Bradley Open Melting Point Dataset 6636

-75 °C Alfa Aesar A15547

-75 °C SynQuest 60938, 5181-5-X2
Experimental Boiling Point:

145-147 °C Alfa Aesar

145-147 °C Alfa Aesar A15547

142-147 °C SynQuest 60938, 5181-5-X2

144-145 °C Oakwood
[005288]

142-144 °C (Literature) LabNetwork LN00007961
Experimental Flash Point:

29 °C Alfa Aesar

29 °C Alfa Aesar

29 °F (-1.6667 °C)
Alfa Aesar A15547

30 °C SynQuest 60938, 5181-5-X2

22 °C Oakwood
[005288]

30 °C LabNetwork LN00007961

Experimental Gravity:

20 g/mL Merck Millipore 3197

20 g/l Merck Millipore 3197, 821139

25 g/mL SynQuest 5181-5-X2

0.899 g/mL Alfa Aesar A15547

0.898 g/mL SynQuest 5181-5-X2

0.899 g/mL Oakwood
[005288]

0.897 g/mL Fluorochem

0.897 g/l Fluorochem S17525

Experimental Refraction Index:

1.43 Alfa Aesar A15547

Miscellaneous

Safety:

10-14-22-35 Alfa Aesar A15547

26-36/37/39-45 Alfa Aesar A15547

8 Alfa Aesar A15547

8-20-23-26-30-36/37/39-45-60 Alfa Aesar A15547

C Abblis Chemicals AB1007278

Corrosive/Flammable/Toxic/Moisture Sensitive/Store under Argon SynQuest 5181-5-X2, 60938

Danger Alfa Aesar A15547

DANGER: CORROSIVE, FLAMMABLE, burns skin and eyes Alfa Aesar A15547

DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar A15547

H314-H226-H302-EUH014 Alfa Aesar A15547

P210-P260-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A15547

R10,R14,R18,R22,R29,R34,R41 SynQuest 5181-5-X2

R10,R14,R22,R35 SynQuest 60938

S16,S26,S36/37/39,S43,S45 SynQuest 5181-5-X2, 60938

Gas Chromatography

Retention Index (Kovats):

704 (estimated with error: 89) NIST Spectra mainlib_231379, replib_4704, replib_156156

874 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 70 C; CAS no: 994309; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kirichenko, E.A.; Markov, B.A.; Kochetov, V.A.; Kuznetsova, T.I., Chromatographic retention indices of alkylchlorosilanes, Zh. Anal. Khim., 30(6), 1975, 1038-1040, In original 1232-1235.) NIST Spectra nist ri

904 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 140 C; CAS no: 994309; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kirichenko, E.A.; Markov, B.A.; Kochetov, V.A.; Kuznetsova, T.I., Chromatographic retention indices of alkylchlorosilanes, Zh. Anal. Khim., 30(6), 1975, 1038-1040, In original 1232-1235.) NIST Spectra nist ri

900.2 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 994309; Active phase: Polymethylsiloxane, (PMS-20000); Carrier gas: He; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 27, 1972, 816-821.) NIST Spectra nist ri

Retention Index (Normal Alkane):

861.7 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 994309; Active phase: Lucopren G (silicone elastomer); Carrier gas: N2; Substrate: Celite 545 (0.12-0.15 mm); Data type: Normal alkane RI; Authors: Wurst, M.; Churacek, J., Analyse von organosiliciumverbindungen. VI. Retentionsindices der organosiliciumverbindungen bie der gaschromatographie, Collect. Czech. Chem. Commun., 36, 1971, 3497-3506.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density:	0.9±0.1 g/cm³
Boiling Point:	144.5±0.0 °C at 760 mmHg
Vapour Pressure:	6.4±0.2 mmHg at 25°C
Enthalpy of Vaporization:	36.6±3.0 kJ/mol
Flash Point:	29.4±0.0 °C
Index of Refraction:	1.411
Molar Refractivity:	43.4±0.3 cm³
#H bond acceptors:	0
#H bond donors:	0
#Freely Rotating Bonds:	3
#Rule of 5 Violations:	0

ACD/LogP:	3.77
ACD/LogD (pH 5.5):	4.16
ACD/BCF (pH 5.5):	859.68
ACD/KOC (pH 5.5):	4385.31
ACD/LogD (pH 7.4):	4.16
ACD/BCF (pH 7.4):	859.68
ACD/KOC (pH 7.4):	4385.31
Polar Surface Area:	0 Å²
Polarizability:	17.2±0.5 10^-24cm³
Surface Tension:	19.8±3.0 dyne/cm
Molar Volume:	174.7±3.0 cm³

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 3.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 107.57 (Adapted Stein & Brown method)
 Melting Pt (deg C): -64.42 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 5.17 (Mean VP of Antoine & Grain methods)
 BP (exp database): 144.5 deg C
 VP (exp database): 6.77E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 31.59
 log Kow used: 3.95 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1.5147 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.50E-001 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 3.246E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 3.95 (KowWin est)
 Log Kaw used: 0.788 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 3.162
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6758
 Biowin2 (Non-Linear Model) : 0.7044
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.8661 (weeks )
 Biowin4 (Primary Survey Model) : 3.6303 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4132
 Biowin6 (MITI Non-Linear Model): 0.3825
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.6753
 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): 903 Pa (6.77 mm Hg)
 Log Koa (Koawin est ): 3.162
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.32E-009 
 Octanol/air (Koa) model: 3.56E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.2E-007 
 Mackay model : 2.66E-007 
 Octanol/air (Koa) model: 2.85E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 3.5840 E-12 cm3/molecule-sec
 Half-Life = 2.984 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 35.812 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.93E-007 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 381.3
 Log Koc: 2.581 

 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 = 2.345 (BCF = 221.4)
 log Kow used: 3.95 (estimated)

 Volatilization from Water:
 Henry LC: 0.15 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.258 hours
 Half-Life from Model Lake : 116.7 hours (4.861 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 98.51 percent
 Total biodegradation: 0.06 percent
 Total sludge adsorption: 16.03 percent
 Total to Air: 82.42 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 26.2 71.6 1000 
 Water 40.7 360 1000 
 Soil 28.4 720 1000 
 Sediment 4.66 3.24e+003 0 
 Persistence Time: 151 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 3.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 107.57 (Adapted Stein & Brown method)
 Melting Pt (deg C): -64.42 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 5.17 (Mean VP of Antoine & Grain methods)
 BP (exp database): 144.5 deg C
 VP (exp database): 6.77E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 31.59
 log Kow used: 3.95 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1.5147 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.50E-001 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 3.246E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 3.95 (KowWin est)
 Log Kaw used: 0.788 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 3.162
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6758
 Biowin2 (Non-Linear Model) : 0.7044
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.8661 (weeks )
 Biowin4 (Primary Survey Model) : 3.6303 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4132
 Biowin6 (MITI Non-Linear Model): 0.3825
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.6753
 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): 903 Pa (6.77 mm Hg)
 Log Koa (Koawin est ): 3.162
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.32E-009 
 Octanol/air (Koa) model: 3.56E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.2E-007 
 Mackay model : 2.66E-007 
 Octanol/air (Koa) model: 2.85E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 3.5840 E-12 cm3/molecule-sec
 Half-Life = 2.984 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 35.812 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.93E-007 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 381.3
 Log Koc: 2.581 

 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 = 2.345 (BCF = 221.4)
 log Kow used: 3.95 (estimated)

 Volatilization from Water:
 Henry LC: 0.15 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.258 hours
 Half-Life from Model Lake : 116.7 hours (4.861 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 98.51 percent
 Total biodegradation: 0.06 percent
 Total sludge adsorption: 16.03 percent
 Total to Air: 82.42 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 26.2 71.6 1000 
 Water 40.7 360 1000 
 Soil 28.4 720 1000 
 Sediment 4.66 3.24e+003 0 
 Persistence Time: 151 hr

Click to predict properties on the Chemicalize site

Chloro(triethyl)silane C6H15ClSi structure – Flashcards

Experimental Melting Point:

Experimental Boiling Point:

Experimental Flash Point:

Experimental Gravity:

Experimental Refraction Index:

Safety:

Retention Index (Kovats):

Retention Index (Normal Alkane):

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