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: 3466-15-7

SMILES : CC1C23C(C(CC2=C(C(=C)C3)C)CC1)(C)C

CHEM :

MOL FOR: C16 H24

MOL WT : 216.37

------------------------------ 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):

Log Kow (KOWWIN v1.68 estimate) = 6.28

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

Boiling Pt (deg C): 261.59 (Adapted Stein & Brown method)

Melting Pt (deg C): 61.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0113 (Modified Grain method)

VP (Pa, 25 deg C) : 1.5 (Modified Grain method)

Subcooled liquid VP: 0.0244 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.04497

log Kow used: 6.28 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.15544 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.89E-001 atm-m3/mole (3.94E+004 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: 7.154E-002 atm-m3/mole (7.249E+003 Pa-m3/mole)

VP: 0.0113 mm Hg (source: MPBPVP)

WS: 0.045 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.28 (KowWin est)

Log Kaw used: 1.201 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.079

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2767

Biowin2 (Non-Linear Model) : 0.0290

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2968 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2287 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3215

Biowin6 (MITI Non-Linear Model): 0.1090

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6989

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 3.4570

BioHC Half-Life (days) : 2864.3831

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 3.25 Pa (0.0244 mm Hg)

Log Koa (Koawin est ): 5.079

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

Mackay model : 9.22E-007

Octanol/air (Koa) model: 2.94E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.33E-005

Mackay model : 7.38E-005

Octanol/air (Koa) model: 2.36E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 270.1799 E-12 cm3/molecule-sec

Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 28.504 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 222.446243 E-17 cm3/molecule-sec

Half-Life = 0.005 Days (at 7E11 mol/cm3)

Half-Life = 7.419 Min

Fraction sorbed to airborne particulates (phi):

5.35E-005 (Junge-Pankow, Mackay avg)

2.36E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.9E+004 L/kg (MCI method)

Log Koc: 4.462 (MCI method)

Koc : 2.818E+005 L/kg (Kow method)

Log Koc: 5.450 (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 v3.01):

Log BCF from regression-based method = 3.813 (BCF = 6499 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.4784 days (HL = 30.09 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.800 (BCF = 6311)

Log BAF Arnot-Gobas method (upper trophic) = 5.355 (BAF = 2.263e+005)

log Kow used: 6.28 (estimated)

Volatilization from Water:

Henry LC: 0.389 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.503 hours

Half-Life from Model Lake : 139.7 hours (5.822 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.52 percent

Total biodegradation: 0.30 percent

Total sludge adsorption: 66.17 percent

Total to Air: 32.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0381 0.109 1000

Water 24.6 900 1000

Soil 38.2 1.8e+003 1000

Sediment 37.2 8.1e+003 0

Persistence Time: 329 hr

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