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: 000295-17-0

SMILES : C(CCCCCCC1)CCCCCC1

CHEM : CYCLOTETRADECANE

MOL FOR: C14 H28

MOL WT : 196.38

------------------------------ 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) = 7.10

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

Boiling Pt (deg C): 268.42 (Adapted Stein & Brown method)

Melting Pt (deg C): 0.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0171 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.28 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 0.01136

log Kow used: 7.10 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.25664 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.46E+000 atm-m3/mole (2.49E+005 Pa-m3/mole)

Group Method: 3.08E+000 atm-m3/mole (3.12E+005 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: 3.890E-001 atm-m3/mole (3.941E+004 Pa-m3/mole)

VP: 0.0171 mm Hg (source: MPBPVP)

WS: 0.0114 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.10 (KowWin est)

Log Kaw used: 2.002 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.098

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6541

Biowin2 (Non-Linear Model) : 0.5548

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7652 (weeks )

Biowin4 (Primary Survey Model) : 3.5644 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4041

Biowin6 (MITI Non-Linear Model): 0.5418

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8441

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.4535

BioHC Half-Life (days) : 284.1283

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

Vapor pressure (liquid/subcooled): 2.32 Pa (0.0174 mm Hg)

Log Koa (Koawin est ): 5.098

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

Mackay model : 1.29E-006

Octanol/air (Koa) model: 3.08E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.67E-005

Mackay model : 0.000103

Octanol/air (Koa) model: 2.46E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.7827 E-12 cm3/molecule-sec

Half-Life = 0.541 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.488 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.51E-005 (Junge-Pankow, Mackay avg)

2.46E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.774E+004 L/kg (MCI method)

Log Koc: 4.249 (MCI method)

Koc : 1.451E+006 L/kg (Kow method)

Log Koc: 6.162 (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 = 4.073 (BCF = 1.183e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.4903 days (HL = 30.93 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.424 (BCF = 2653)

Log BAF Arnot-Gobas method (upper trophic) = 5.704 (BAF = 5.059e+005)

log Kow used: 7.10 (estimated)

Volatilization from Water:

Henry LC: 2.46 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.43 hours

Half-Life from Model Lake : 133.1 hours (5.546 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.67 percent

Total biodegradation: 0.31 percent

Total sludge adsorption: 67.00 percent

Total to Air: 31.37 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 9.73 13 1000

Water 59.6 360 1000

Soil 11.5 720 1000

Sediment 19.1 3.24e+003 0

Persistence Time: 124 hr

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