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: 000050-00-0


CHEM : Formaldehyde


MOL WT : 30.03

------------------------------ 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) = 0.35

Log Kow (Exper. database match) = 0.35

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 9.50 (Adapted Stein & Brown method)

Melting Pt (deg C): -110.94 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.49E+003 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.65E+005 (Mean VP of Antoine & Grain methods)

MP (exp database): -92 deg C

BP (exp database): -19.1 deg C

VP (exp database): 3.89E+03 mm Hg (5.19E+005 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 5.702e+004

log Kow used: 0.35 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4e+005 mg/L (20 deg C)

Exper. Ref: PICKRELL,JA ET AL. (1983)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.9694e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 9.29E-005 atm-m3/mole (9.41E+000 Pa-m3/mole)

Group Method: 6.14E-005 atm-m3/mole (6.23E+000 Pa-m3/mole)

Exper Database: 3.37E-07 atm-m3/mole (3.41E-002 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: 5.267E-004 atm-m3/mole (5.336E+001 Pa-m3/mole)

VP: 3.49E+003 mm Hg (source: MPBPVP)

WS: 5.7E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.35 (exp database)

Log Kaw used: -4.861 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.211

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0179

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1551 (weeks )

Biowin4 (Primary Survey Model) : 4.0011 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0342

Biowin6 (MITI Non-Linear Model): 0.9879

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9587

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): 5.19E+005 Pa (3.89E+003 mm Hg)

Log Koa (Koawin est ): 5.211

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

Mackay model : 5.78E-012

Octanol/air (Koa) model: 3.99E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.09E-010

Mackay model : 4.63E-010

Octanol/air (Koa) model: 3.19E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.1300 E-12 cm3/molecule-sec

Half-Life = 1.316 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 15.787 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.36E-010 (Junge-Pankow, Mackay avg)

3.19E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1 L/kg (MCI method)

Log Koc: 0.000 (MCI method)

Koc : 7.752 L/kg (Kow method)

Log Koc: 0.889 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2600 days (HL = 0.05495 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.024 (BCF = 1.056)

Log BAF Arnot-Gobas method (upper trophic) = 0.024 (BAF = 1.056)

log Kow used: 0.35 (expkow database)

Volatilization from Water:

Henry LC: 3.37E-007 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 952.6 hours (39.69 days)

Half-Life from Model Lake : 1.044E+004 hours (434.9 days)

Removal In Wastewater Treatment:

Total removal: 1.87 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.13 27.4 1000

Water 44.1 360 1000

Soil 53.6 720 1000

Sediment 0.0826 3.24e+003 0

Persistence Time: 391 hr

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