Vinyl bromide C2H3Br structure – Flashcards
Flashcard maker : Elizabeth Bates
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Predicted Melting Point:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
Molecular Formula | C2H3Br |
Average mass | 106.949 Da |
Density | 1.5±0.1 g/cm3 |
Boiling Point | 15.8±0.0 °C at 760 mmHg |
Flash Point | -28.7±15.1 °C |
Molar Refractivity | 18.8±0.3 cm3 |
Polarizability | 7.4±0.5 10-24cm3 |
Surface Tension | 23.0±3.0 dyne/cm |
Molar Volume | 69.8±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.5±0.1 g/cm3 |
Boiling Point: | 15.8±0.0 °C at 760 mmHg |
Vapour Pressure: | 1051.4±0.0 mmHg at 25°C |
Enthalpy of Vaporization: | 25.2±3.0 kJ/mol |
Flash Point: | -28.7±15.1 °C |
Index of Refraction: | 1.450 |
Molar Refractivity: | 18.8±0.3 cm3 |
#H bond acceptors: | 0 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 0 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 1.61 |
ACD/LogD (pH 5.5): | 1.63 |
ACD/BCF (pH 5.5): | 10.29 |
ACD/KOC (pH 5.5): | 184.58 |
ACD/LogD (pH 7.4): | 1.63 |
ACD/BCF (pH 7.4): | 10.29 |
ACD/KOC (pH 7.4): | 184.58 |
Polar Surface Area: | 0 Å2 |
Polarizability: | 7.4±0.5 10-24cm3 |
Surface Tension: | 23.0±3.0 dyne/cm |
Molar Volume: | 69.8±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) = 1.52 Log Kow (Exper. database match) = 1.57 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 50.34 (Adapted Stein & Brown method) Melting Pt (deg C): -93.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -137.8 deg C BP (exp database): 15.8 deg C VP (exp database): 1.03E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5079 log Kow used: 1.57 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10358 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.23E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.106E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.57 (exp database) Log Kaw used: -0.299 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.869 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6505 Biowin2 (Non-Linear Model) : 0.0496 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9918 (weeks ) Biowin4 (Primary Survey Model) : 3.7288 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5093 Biowin6 (MITI Non-Linear Model): 0.2626 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9746 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.37E+005 Pa (1.03E+003 mm Hg) Log Koa (Koawin est ): 1.869 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.18E-011 Octanol/air (Koa) model: 1.82E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.89E-010 Mackay model : 1.75E-009 Octanol/air (Koa) model: 1.45E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.8380 E-12 cm3/molecule-sec Half-Life = 1.564 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.770 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.024500 E-17 cm3/molecule-sec Half-Life = 46.775 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.27E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 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 = 0.509 (BCF = 3.228) log Kow used: 1.57 (expkow database) Volatilization from Water: Henry LC: 0.0123 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.105 hours Half-Life from Model Lake : 98.76 hours (4.115 days) Removal In Wastewater Treatment: Total removal: 82.83 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.61 percent Total to Air: 82.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 29.3 36.5 1000 Water 65.3 360 1000 Soil 5.23 720 1000 Sediment 0.161 3.24e+003 0 Persistence Time: 95.5 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.52 Log Kow (Exper. database match) = 1.57 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 50.34 (Adapted Stein & Brown method) Melting Pt (deg C): -93.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -137.8 deg C BP (exp database): 15.8 deg C VP (exp database): 1.03E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5079 log Kow used: 1.57 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10358 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.23E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.106E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.57 (exp database) Log Kaw used: -0.299 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.869 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6505 Biowin2 (Non-Linear Model) : 0.0496 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9918 (weeks ) Biowin4 (Primary Survey Model) : 3.7288 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5093 Biowin6 (MITI Non-Linear Model): 0.2626 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9746 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.37E+005 Pa (1.03E+003 mm Hg) Log Koa (Koawin est ): 1.869 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.18E-011 Octanol/air (Koa) model: 1.82E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.89E-010 Mackay model : 1.75E-009 Octanol/air (Koa) model: 1.45E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.8380 E-12 cm3/molecule-sec Half-Life = 1.564 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.770 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.024500 E-17 cm3/molecule-sec Half-Life = 46.775 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.27E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 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 = 0.509 (BCF = 3.228) log Kow used: 1.57 (expkow database) Volatilization from Water: Henry LC: 0.0123 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.105 hours Half-Life from Model Lake : 98.76 hours (4.115 days) Removal In Wastewater Treatment: Total removal: 82.83 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.61 percent Total to Air: 82.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 29.3 36.5 1000 Water 65.3 360 1000 Soil 5.23 720 1000 Sediment 0.161 3.24e+003 0 Persistence Time: 95.5 hr
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