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 Num: 107898-54-4

SMILES : CC1(C(CC=C1C)C=CC(C)(C)C(O)C)C

CHEM : 4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

MOL FOR: C15 H26 O1

MOL WT : 222.37

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 5.39

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

Boiling Pt (deg C): 288.22 (Adapted Stein & Brown method)

Melting Pt (deg C): 63.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000125 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0166 (Modified Grain method)

Subcooled liquid VP: 0.000286 mm Hg (25 deg C, Mod-Grain method)

: 0.0382 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 2.711

log Kow used: 5.39 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18.575 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.73E-005 atm-m3/mole (5.80E+000 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

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

HLC: 1.349E-005 atm-m3/mole (1.367E+000 Pa-m3/mole)

VP: 0.000125 mm Hg (source: MPBPVP)

WS: 2.71 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.39 (KowWin est)

Log Kaw used: -2.630 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.020

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4325

Biowin2 (Non-Linear Model) : 0.0774

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4435 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3495 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3495

Biowin6 (MITI Non-Linear Model): 0.1321

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6440

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): 0.0381 Pa (0.000286 mm Hg)

Log Koa (Koawin est ): 8.020

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

Mackay model : 7.87E-005

Octanol/air (Koa) model: 2.57E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00283

Mackay model : 0.00625

Octanol/air (Koa) model: 0.00205

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 155.3778 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 162.9778 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 0.826 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.788 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.962500 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 8.531250 E-17 cm3/molecule-sec [Trans-]

Half-Life = 3.454 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 3.224 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

0.00454 (Junge-Pankow, Mackay avg)

0.00205 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1054 L/kg (MCI method)

Log Koc: 3.023 (MCI method)

Koc : 3126 L/kg (Kow method)

Log Koc: 3.495 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.222 (BCF = 1666 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5749 days (HL = 3.758 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.139 (BCF = 1376)

Log BAF Arnot-Gobas method (upper trophic) = 3.205 (BAF = 1602)

log Kow used: 5.39 (estimated)

Volatilization from Water:

Henry LC: 5.73E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 16.76 hours

Half-Life from Model Lake : 307.9 hours (12.83 days)

Removal In Wastewater Treatment:

Total removal: 86.79 percent

Total biodegradation: 0.73 percent

Total sludge adsorption: 85.82 percent

Total to Air: 0.24 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0667 1.12 1000

Water 15.5 900 1000

Soil 83.6 1.8e+003 1000

Sediment 0.897 8.1e+003 0

Persistence Time: 983 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy