BT

The Good Scents Company Information Listings

This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet

CAS Number: 10035-10-6

SMILES : Br

CHEM : Hydrobromic acid

MOL FOR: Br1

MOL WT : 79.90

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

*** WARNING: Inorganic Compound (Outside Estimation Domain)

Log Kow (KOWWIN v1.68 estimate) = 0.63

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

*** WARNING: Inorganic Compound (Outside Estimate Domain) ***

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 476.40 (Adapted Stein & Brown method)

Melting Pt (deg C): 178.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.94E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 1.06E-006 (Modified Grain method)

Subcooled liquid VP: 3.14E-007 mm Hg (25 deg C, Mod-Grain method)

: 4.19E-005 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

Water Solubility at 25 deg C (mg/L): 3.802e+004

log Kow used: 0.63 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

*** WARNING: Inorganic Compound (Outside Estimation Domain)***

*** WARNING: Wat Sol Estimation NOT Valid ***

Wat Sol (v1.01 est) = 38279 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

*** WARNING: Inorganic Compound (Outside Estimation Domain) **

*** WARNING: Estimation NOT VALID **

Bond Method : 2.45E-002 atm-m3/mole (2.48E+003 Pa-m3/mole)

Group Method: 2.45E-002 atm-m3/mole (2.48E+003 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.196E-014 atm-m3/mole (2.225E-009 Pa-m3/mole)

VP: 7.94E-009 mm Hg (source: MPBPVP)

WS: 3.8E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

*** WARNING: Estimation NOT VALID ***

Log Kow used: 0.63 (KowWin est)

Log Kaw used: 0.001 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 0.629

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

*** WARNING: Estimation NOT VALID ***

Biowin1 (Linear Model) : 0.7095

Biowin2 (Non-Linear Model) : 0.8669

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0226 (weeks )

Biowin4 (Primary Survey Model) : 3.7325 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4744

Biowin6 (MITI Non-Linear Model): 0.5545

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): 4.19E-005 Pa (3.14E-007 mm Hg)

Log Koa (Koawin est ): 0.629

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.0717

Octanol/air (Koa) model: 1.04E-012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.721

Mackay model : 0.851

Octanol/air (Koa) model: 8.36E-011

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

*** WARNING: Inorganic Compound (Outside Estimation Domain)***

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec

Half-Life = -------

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.786 (Junge-Pankow, Mackay avg)

8.36E-011 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

*** WARNING: Inorganic Coumpound (Outside Estimation Domain) **

*** WARNING: Estimation NOT VALID **

Koc : 13.22 L/kg (MCI method)

Log Koc: 1.121 (MCI method)

Koc : 3.519 L/kg (Kow method)

Log Koc: 0.546 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.795E-004 L/mol-sec

Kb Half-Life at pH 8: 122.375 years

Kb Half-Life at pH 7: 1223.748 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.5487 days (HL = 0.02827 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.053 (BCF = 1.13)

Log BAF Arnot-Gobas method (upper trophic) = 0.053 (BAF = 1.13)

log Kow used: 0.63 (estimated)

Volatilization from Water:

Henry LC: 0.0245 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 0.9335 hours (56.01 min)

Half-Life from Model Lake : 85.13 hours (3.547 days)

Removal In Wastewater Treatment:

Total removal: 90.51 percent

Total biodegradation: 0.02 percent

Total sludge adsorption: 0.40 percent

Total to Air: 90.08 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 39.7 1e+005 1000

Water 51.9 360 1000

Soil 8.23 720 1000

Sediment 0.124 3.24e+003 0

Persistence Time: 179 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy