SMILES : O=C(OC(C1CC=C(CC1)C)(C)C)C
CHEM : Terpineol, acetate
CAS NUM: 008007-35-0
MOL FOR: C12 H20 O2
MOL WT : 196.29
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 4.34
Log Kow (Exper. database match) = 3.96
Exper. Ref: Griffin,S et al. (1999)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 238.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 21.47 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0497 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 18.97
log Kow used: 3.96 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 101.2 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.03E-003 atm-m3/mole
Group Method: 1.02E-004 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 6.767E-004 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.96 (exp database)
Log Kaw used: -1.376 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.336
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6443
Biowin2 (Non-Linear Model) : 0.9294
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6935 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6401 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6190
Biowin6 (MITI Non-Linear Model): 0.5964
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0387
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 6.33 Pa (0.0475 mm Hg)
Log Koa (Koawin est ): 5.336
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.74E-007
Octanol/air (Koa) model: 5.32E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.71E-005
Mackay model : 3.79E-005
Octanol/air (Koa) model: 4.26E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 94.7335 E-12 cm3/molecule-sec
Half-Life = 0.113 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.355 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 2.75E-005 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 531.9
Log Koc: 2.726
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 1.022E-002 L/mol-sec
Kb Half-Life at pH 8: 2.148 years
Kb Half-Life at pH 7: 21.483 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 2.349 (BCF = 223.5)
log Kow used: 3.96 (expkow database)
Volatilization from Water:
Henry LC: 0.000102 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 16.16 hours
Half-Life from Model Lake : 220.8 hours (9.2 days)
Removal In Wastewater Treatment:
Total removal: 31.28 percent
Total biodegradation: 0.30 percent
Total sludge adsorption: 27.42 percent
Total to Air: 3.56 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0319 0.517 1000
Water 13.2 900 1000
Soil 84 1.8e+003 1000
Sediment 2.83 8.1e+003 0
Persistence Time: 1.01e+003 hr