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: 000124-18-5

SMILES : C(CCCCCCCC)C

CHEM : Decane

MOL FOR: C10 H22

MOL WT : 142.29

------------------------------ 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) = 5.25

Log Kow (Exper. database match) = 5.01

Exper. Ref: COATES,M ET AL. (1985)

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

Boiling Pt (deg C): 164.60 (Adapted Stein & Brown method)

Melting Pt (deg C): -44.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.73 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 231 (Mean VP of Antoine & Grain methods)

MP (exp database): -29.7 deg C

BP (exp database): 174.1 deg C

VP (exp database): 1.43E+00 mm Hg (1.91E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1.252

log Kow used: 5.01 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.052 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.091706 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.30E+000 atm-m3/mole (5.37E+005 Pa-m3/mole)

Group Method: 6.74E+000 atm-m3/mole (6.83E+005 Pa-m3/mole)

Exper Database: 5.15E+00 atm-m3/mole (5.22E+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: 2.587E-001 atm-m3/mole (2.621E+004 Pa-m3/mole)

VP: 1.73 mm Hg (source: MPBPVP)

WS: 1.25 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.01 (exp database)

Log Kaw used: 2.323 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.687

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8967

Biowin2 (Non-Linear Model) : 0.9908

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4814 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1806 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6850

Biowin6 (MITI Non-Linear Model): 0.8691

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2494

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.9377

BioHC Half-Life (days) : 8.6627

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

Vapor pressure (liquid/subcooled): 191 Pa (1.43 mm Hg)

Log Koa (Koawin est ): 2.687

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

Mackay model : 1.57E-008

Octanol/air (Koa) model: 1.19E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.68E-007

Mackay model : 1.26E-006

Octanol/air (Koa) model: 9.55E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.1105 E-12 cm3/molecule-sec

Half-Life = 0.963 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.552 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.14E-007 (Junge-Pankow, Mackay avg)

9.55E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1451 L/kg (MCI method)

Log Koc: 3.162 (MCI method)

Koc : 2.227E+004 L/kg (Kow method)

Log Koc: 4.348 (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 = 1.598 (BCF = 39.66 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3898 days (HL = 2.454 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.959 (BCF = 910.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.973 (BAF = 939.2)

log Kow used: 5.01 (expkow database)

Volatilization from Water:

Henry LC: 5.15 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.217 hours

Half-Life from Model Lake : 113.3 hours (4.721 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.97 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 48.12 percent

Total to Air: 51.70 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 26.9 22.1 1000

Water 69.1 208 1000

Soil 1.73 416 1000

Sediment 2.27 1.87e+003 0

Persistence Time: 70.7 hr

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