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: 420-04-2

SMILES : C(#N)N

CHEM : Cyanamide

MOL FOR: C1 H2 N2

MOL WT : 42.04

------------------------------ 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) = -0.81

Log Kow (Exper. database match) = -0.82

Exper. Ref: TOMLIN,C (1994)

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

Boiling Pt (deg C): 112.00 (Adapted Stein & Brown method)

Melting Pt (deg C): -36.07 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 14 (Modified Grain method)

VP (Pa, 25 deg C) : 1.87E+003 (Modified Grain method)

MP (exp database): 44 deg C

BP (exp database): 83 @ 0.5 mm Hg deg C

VP (exp database): 3.75E-03 mm Hg (5.00E-001 Pa) at 20 deg C

Subcooled liquid VP: 0.00578 mm Hg (20 deg C, exp database VP )

: 0.771 Pa (20 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 6.515e+005

log Kow used: -0.82 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 5e+005 mg/L (25 deg C)

Exper. Ref: SHIU,WY ET AL. (1990)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.32E-005 atm-m3/mole (3.37E+000 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 2.59E-10 atm-m3/mole (2.62E-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: 1.189E-006 atm-m3/mole (1.204E-001 Pa-m3/mole)

VP: 14 mm Hg (source: MPBPVP)

WS: 6.52E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.82 (exp database)

Log Kaw used: -7.975 (exp database)

Log Koa (KOAWIN v1.10 estimate): 7.155

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7275

Biowin2 (Non-Linear Model) : 0.9177

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1063 (weeks )

Biowin4 (Primary Survey Model) : 3.7871 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5871

Biowin6 (MITI Non-Linear Model): 0.7878

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8361

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): 0.771 Pa (0.00578 mm Hg)

Log Koa (Koawin est ): 7.155

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

Mackay model : 3.89E-006

Octanol/air (Koa) model: 3.51E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000141

Mackay model : 0.000311

Octanol/air (Koa) model: 0.000281

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec

Half-Life = -------

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000226 (Junge-Pankow, Mackay avg)

0.000281 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.67 L/kg (MCI method)

Log Koc: 0.669 (MCI method)

Koc : 7.306 L/kg (Kow method)

Log Koc: 0.864 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.8969 days (HL = 0.01268 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8984)

Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8984)

log Kow used: -0.82 (expkow database)

Volatilization from Water:

Henry LC: 2.59E-010 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.466E+006 hours (6.107E+004 days)

Half-Life from Model Lake : 1.599E+007 hours (6.662E+005 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00576 1e+005 1000

Water 34.1 360 1000

Soil 65.8 720 1000

Sediment 0.0691 3.24e+003 0

Persistence Time: 613 hr

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