m-Xylene
Cc1cccc(c1)C CopyCopied
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 CopyCopied
IVSZLXZYQVIEFR-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,3-dimethylbenzene
1,3-xylene
1330-20-7 [RN]
benzene, 1,3-dimethyl-
Benzene, m-dimethyl-
BENZENE,1,3-DIMETHYL
m-methyltoluene
m-xylene [Wiki] [ACD/IUPAC Name]
m-Xylene [UN1307] [Flammable liquid]
Xylene, m-
1,3-Dimethylbenzol
108-38-3 [RN]
2,4-Xylene
203-576-3 [EINECS]
215-535-7 [EINECS]
3-xylene
605441 [Beilstein]
C031285
m-dimethylbenzene
META-XYLENE
M-XYLOL
Santosol 150
Xylene
间二甲苯 [Chinese]
185566_ALDRICH [DBID]
296325_ALDRICH [DBID]
34847_RIEDEL [DBID]
48582_SUPELCO [DBID]
95670_FLUKA [DBID]
95672_FLUKA [DBID]
AC-907/25014177 [DBID]
AI3-08916 [DBID]
AI3-12126 [DBID]
AI3-19859 [DBID]
AI3-23961 [DBID]
AI3-24281 [DBID]
AI3-24282 [DBID]
AI3-26486 [DBID]
AI3-52607 [DBID]
AIDS018265 [DBID]
AIDS-018265 [DBID]
AIDS018974 [DBID]
AIDS-018974 [DBID]
AIDS018999 [DBID]
AIDS-018999 [DBID]
bmse000554 [DBID]
BRN 0001506 [DBID]
BRN 0471357 [DBID]
BRN 0635944 [DBID]
BRN 1851959 [DBID]
C.I. 37005 [DBID]
C.I. 76025 [DBID]
c0240 [DBID]
C02454 [DBID]
C07208 [DBID]
C14270 [DBID]
CCRIS 1236 [DBID]
CCRIS 3402 [DBID]
CCRIS 4325 [DBID]
CCRIS 641 [DBID]
CCRIS 907 [DBID]
CHEBI:30397 [DBID]
CHEBI:32548 [DBID]
CHEBI:8092 [DBID]
HSDB 135 [DBID]
HSDB 1413 [DBID]
HSDB 2023 [DBID]
HSDB 2043 [DBID]
HSDB 2046 [DBID]
HSDB 5384 [DBID]
HSDB 79 [DBID]
NCGC00091145-01 [DBID]
NCGC00091547-01 [DBID]
NCGC00091698-01 [DBID]
NCGC00091711-01 [DBID]
NSC 15349 [DBID]
NSC 17581 [DBID]
NSC 2155 [DBID]
NSC 2156 [DBID]
NSC 4776 [DBID]
NSC 59700 [DBID]
NSC 61769 [DBID]
NSC 81219 [DBID]
NSC 8767 [DBID]
NSC15349 [DBID]
NSC17581 [DBID]
NSC212255 [DBID]
NSC2155 [DBID]
NSC2156 [DBID]
NSC4776 [DBID]
NSC59700 [DBID]
NSC61769 [DBID]
NSC81219 [DBID]
NSC8767 [DBID]
UN1307 [DBID]
UN1673 [DBID]
UN1708 [DBID]
UN2020 [DBID]
UN2021 [DBID]
UN2238 [DBID]
USAF EK-2680 [DBID]
ZINC00047986 [DBID]
ZINC00164650 [DBID]
ZINC00404329 [DBID]
ZINC00967330 [DBID]
ZINC03861040 [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) = 3.09 Log Kow (Exper. database match) = 3.20 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 148.29 (Adapted Stein & Brown method) Melting Pt (deg C): -40.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.62 (Mean VP of Antoine & Grain methods) MP (exp database): -47.8 deg C BP (exp database): 139.1 deg C VP (exp database): 8.29E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 207.2 log Kow used: 3.20 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 161 mg/L (25 deg C) Exper. Ref: SANEMASA,I ET AL. (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 161.92 mg/L Wat Sol (Exper. database match) = 161.00 Exper. Ref: SANEMASA,I ET AL. (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.56E-003 atm-m3/mole Group Method: 6.14E-003 atm-m3/mole Exper Database: 7.18E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.463E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.20 (exp database) Log Kaw used: -0.532 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.732 Log Koa (experimental database): 3.780 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8063 Biowin2 (Non-Linear Model) : 0.9343 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8149 (weeks ) Biowin4 (Primary Survey Model) : 3.5575 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5121 Biowin6 (MITI Non-Linear Model): 0.6355 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2892 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6475 BioHC Half-Life (days) : 4.4415 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.11E+003 Pa (8.29 mm Hg) Log Koa (Exp database): 3.780 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.71E-009 Octanol/air (Koa) model: 1.48E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.8E-008 Mackay model : 2.17E-007 Octanol/air (Koa) model: 1.18E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.5606 E-12 cm3/molecule-sec Half-Life = 0.789 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.465 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.58E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 434 Log Koc: 2.638 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.764 (BCF = 58.08) log Kow used: 3.20 (expkow database) Volatilization from Water: Henry LC: 0.00718 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.135 hours Half-Life from Model Lake : 98.79 hours (4.116 days) Removal In Wastewater Treatment: Total removal: 74.82 percent Total biodegradation: 0.06 percent Total sludge adsorption: 4.82 percent Total to Air: 69.94 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.96 10.9 1000 Water 32.6 360 1000 Soil 61.6 720 1000 Sediment 0.798 3.24e+003 0 Persistence Time: 192 hr
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