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: 21391-84-4


CHEM : (1S,5R)-2-methylidene-5-(prop-1-en-2-yl)cyclohexanol

MOL FOR: C10 H16 O1

MOL WT : 152.24

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

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 v1.67 estimate) = 3.37

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

Boiling Pt (deg C): 224.54 (Adapted Stein & Brown method)

Melting Pt (deg C): 4.33 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0164 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.18 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 319.2

log Kow used: 3.37 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 944.49 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 1.18E-005 atm-m3/mole (1.19E+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: 1.029E-005 atm-m3/mole (1.043E+000 Pa-m3/mole)

VP: 0.0164 mm Hg (source: MPBPVP)

WS: 319 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.37 (KowWin est)

Log Kaw used: -3.317 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.687

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8338

Biowin2 (Non-Linear Model) : 0.8770

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0227 (weeks )

Biowin4 (Primary Survey Model) : 3.7575 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5296

Biowin6 (MITI Non-Linear Model): 0.4302

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3140

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): 2.01 Pa (0.0151 mm Hg)

Log Koa (Koawin est ): 6.687

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

Mackay model : 1.49E-006

Octanol/air (Koa) model: 1.19E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.38E-005

Mackay model : 0.000119

Octanol/air (Koa) model: 9.55E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 118.3376 E-12 cm3/molecule-sec

Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.085 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec

Half-Life = 0.477 Days (at 7E11 mol/cm3)

Half-Life = 11.460 Hrs

Fraction sorbed to airborne particulates (phi):

8.65E-005 (Junge-Pankow, Mackay avg)

9.55E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 88.15 L/kg (MCI method)

Log Koc: 1.945 (MCI method)

Koc : 238.6 L/kg (Kow method)

Log Koc: 2.378 (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 = 1.889 (BCF = 77.46 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0005 days (HL = 1.001 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.191 (BCF = 155.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.191 (BAF = 155.3)

log Kow used: 3.37 (estimated)

Volatilization from Water:

Henry LC: 1.18E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 62.48 hours (2.603 days)

Half-Life from Model Lake : 785.1 hours (32.71 days)

Removal In Wastewater Treatment:

Total removal: 10.96 percent

Total biodegradation: 0.16 percent

Total sludge adsorption: 10.20 percent

Total to Air: 0.60 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.217 1.82 1000

Water 28.4 360 1000

Soil 71.3 720 1000

Sediment 0.153 3.24e+003 0

Persistence Time: 423 hr

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