Pentyl acetate
O=C(OCCCCC)C CopyCopied
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 CopyCopied
PGMYKACGEOXYJE-UHFFFAOYSA-N CopyCopied
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Pentyl acetate [Wiki] [ACD/IUPAC Name]
1-Pentanol, acetate
acetic acid, pentyl ester
Amyl Acetate
Pentylacetat
1744753
1-Pentanol acetate
1-Pentyl acetate
211-047-3 [EINECS]
4-02-00-00152 (Beilstein Handbook Reference) [Beilstein]
628-63-7 [RN]
Acetate d'amyle
ACETIC ACID AMYL ESTER
Acetic acid amyl ester; Ethanoic acid pentyl ester; Pentyl acetate; Amyl ethanoate; Amyl acetate; Pentyl ethanoate
Acetic acid n-pentyl ester
Acetic acid pentyl ester
Acetic acid, amyl ester
Amyl acetate (commercial)
Amyl acetate, n-
Amyl acetates [UN1104] [Flammable liquid]
Amyl acetic ester
Amyl acetic ether
Amylacetate
Amylazetat [German]
Amylester kyseliny octove [Czech]
Birnenoel
Dymon SWH Wasp & Hornet Spray
Holiday Pet Repellent
Holiday Repellent Dust
N-AMYL ACETATE
n-Amyl acetate, normal
n-Amyl acetate, normal (natural)
n-Pentyl acetate
N-PENTYL ETHANOATE
Octan amylu
Pent-acetate
Pent-acetate 28
pentanol acetate
Pentyl ester of acetic acid
Pentyl ethanoate
Prim-amyl acetate
Primary amyl acetate
TL8004289
乙酸正戊酯 [Chinese]
109584_ALDRICH [DBID]
41464_FLUKA [DBID]
46022_FLUKA [DBID]
AI3-02729 [DBID]
BRN 1744753 [DBID]
Caswell No. 049A [DBID]
EPA Pesticide Chemical Code 000169 [DBID]
HSDB 5126 [DBID]
NSC 7923 [DBID]
NSC7923 [DBID]
UN1104 [DBID]
W504009_ALDRICH [DBID]
ZINC01586314 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.34 Log Kow (Exper. database match) = 2.30 Exper. Ref: Abraham,MH et al. (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 148.37 (Adapted Stein & Brown method) Melting Pt (deg C): -44.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.16 (Mean VP of Antoine & Grain methods) MP (exp database): -70.8 deg C BP (exp database): 149.2 deg C VP (exp database): 3.50E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 996.8 log Kow used: 2.30 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1700 mg/L (20 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1409 mg/L Wat Sol (Exper. database match) = 1700.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.45E-004 atm-m3/mole Group Method: 4.45E-004 atm-m3/mole Exper Database: 3.88E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.149E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.30 (exp database) Log Kaw used: -1.800 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.100 Log Koa (experimental database): 4.120 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9682 Biowin2 (Non-Linear Model) : 0.9992 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3500 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1579 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8671 Biowin6 (MITI Non-Linear Model): 0.9512 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6350 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): 467 Pa (3.5 mm Hg) Log Koa (Exp database): 4.120 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.43E-009 Octanol/air (Koa) model: 3.24E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.32E-007 Mackay model : 5.14E-007 Octanol/air (Koa) model: 2.59E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.0225 E-12 cm3/molecule-sec Half-Life = 1.776 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.312 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.73E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 38.47 Log Koc: 1.585 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.025E-001 L/mol-sec Kb Half-Life at pH 8: 78.232 days Kb Half-Life at pH 7: 2.142 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.071 (BCF = 11.78) log Kow used: 2.30 (expkow database) Volatilization from Water: Henry LC: 0.000388 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.886 hours Half-Life from Model Lake : 127.2 hours (5.298 days) Removal In Wastewater Treatment: Total removal: 17.15 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.26 percent Total to Air: 14.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.08 34 1000 Water 28.4 208 1000 Soil 63.4 416 1000 Sediment 0.128 1.87e+003 0 Persistence Time: 211 hr
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