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: 1758-33-4

SMILES : O(C1C)C1C

CHEM : OXIRANE, 2,3-DIMETHYL-, CIS-

MOL FOR: C4 H8 O1

MOL WT : 72.11

------------------------------ EPI SUMMARY (v4.11) --------------------------

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):

Log Kow (KOWWIN v1.68 estimate) = 0.79

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

Boiling Pt (deg C): 49.90 (Adapted Stein & Brown method)

Melting Pt (deg C): -91.29 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 240 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.2E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -85 deg C

BP (exp database): 56.5 deg C

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

Water Solubility at 25 deg C (mg/L): 2.848e+004

log Kow used: 0.79 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 48107 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Epoxides, mono

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

Bond Method : 2.12E-004 atm-m3/mole (2.15E+001 Pa-m3/mole)

Group Method: 2.87E-004 atm-m3/mole (2.91E+001 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: 7.996E-004 atm-m3/mole (8.102E+001 Pa-m3/mole)

VP: 240 mm Hg (source: MPBPVP)

WS: 2.85E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.79 (KowWin est)

Log Kaw used: -2.062 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.852

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3659

Biowin2 (Non-Linear Model) : 0.1908

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0312 (weeks )

Biowin4 (Primary Survey Model) : 3.7340 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5248

Biowin6 (MITI Non-Linear Model): 0.5292

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4986

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): 3.16E+004 Pa (237 mm Hg)

Log Koa (Koawin est ): 2.852

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

Mackay model : 9.49E-011

Octanol/air (Koa) model: 1.75E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.43E-009

Mackay model : 7.59E-009

Octanol/air (Koa) model: 1.4E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.9168 E-12 cm3/molecule-sec

Half-Life = 11.667 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.51E-009 (Junge-Pankow, Mackay avg)

1.4E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8.503 L/kg (MCI method)

Log Koc: 0.930 (MCI method)

Koc : 18.68 L/kg (Kow method)

Log Koc: 1.271 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 3.450E-001 L/mol-sec

Ka Half-Life at pH 7: 232.510 days

(Total Ka applies to epoxide(s) only)

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) = -0.9871 days (HL = 0.103 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.151 (BCF = 1.417)

Log BAF Arnot-Gobas method (upper trophic) = 0.151 (BAF = 1.417)

log Kow used: 0.79 (estimated)

Volatilization from Water:

Henry LC: 0.000212 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.212 hours

Half-Life from Model Lake : 106.2 hours (4.427 days)

Removal In Wastewater Treatment:

Total removal: 10.97 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.64 percent

Total to Air: 9.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 19.8 280 1000

Water 39 360 1000

Soil 41.1 720 1000

Sediment 0.0853 3.24e+003 0

Persistence Time: 249 hr

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