10-Undecenoic acid C11H20O2 structure – Flashcards
Flashcard maker : Kayden Hussain
Contents
| Molecular Formula | C11H20O2 |
| Average mass | 184.275 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 300.8±0.0 °C at 760 mmHg |
| Flash Point | 148.9±0.0 °C |
| Molar Refractivity | 54.3±0.3 cm3 |
| Polarizability | 21.5±0.5 10-24cm3 |
| Surface Tension | 33.5±3.0 dyne/cm |
| Molar Volume | 199.8±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 300.8±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 59.5±6.0 kJ/mol |
| Flash Point: | 148.9±0.0 °C |
| Index of Refraction: | 1.456 |
| Molar Refractivity: | 54.3±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 9 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.99 |
| ACD/LogD (pH 5.5): | 3.05 |
| ACD/BCF (pH 5.5): | 78.49 |
| ACD/KOC (pH 5.5): | 469.42 |
| ACD/LogD (pH 7.4): | 1.25 |
| ACD/BCF (pH 7.4): | 1.26 |
| ACD/KOC (pH 7.4): | 7.53 |
| Polar Surface Area: | 37 Å2 |
| Polarizability: | 21.5±0.5 10-24cm3 |
| Surface Tension: | 33.5±3.0 dyne/cm |
| Molar Volume: | 199.8±3.0 cm3 |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.37 Log Kow (Exper. database match) = 3.86 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 293.11 (Adapted Stein & Brown method) Melting Pt (deg C): 71.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00701 (Mean VP of Antoine & Grain methods) MP (exp database): 24.5 deg C BP (exp database): 275 deg C VP (exp database): 9.37E-04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 65.84 log Kow used: 3.86 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 73.7 mg/L (30 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 35.962 mg/L Wat Sol (Exper. database match) = 73.70 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.23E-006 atm-m3/mole Group Method: 2.08E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.582E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.86 (exp database) Log Kaw used: -3.670 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.530 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7325 Biowin2 (Non-Linear Model) : 0.7379 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1565 (weeks ) Biowin4 (Primary Survey Model) : 3.9674 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7590 Biowin6 (MITI Non-Linear Model): 0.8655 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0102 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): 0.125 Pa (0.000937 mm Hg) Log Koa (Koawin est ): 7.530 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.4E-005 Octanol/air (Koa) model: 8.32E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000867 Mackay model : 0.00192 Octanol/air (Koa) model: 0.000665 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.3087 E-12 cm3/molecule-sec Half-Life = 0.287 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.440 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.00139 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 160.8 Log Koc: 2.206 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 = 0.500 (BCF = 3.162) log Kow used: 3.86 (expkow database) Volatilization from Water: Henry LC: 2.08E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 383.5 hours (15.98 days) Half-Life from Model Lake : 4297 hours (179.1 days) Removal In Wastewater Treatment: Total removal: 24.18 percent Total biodegradation: 0.27 percent Total sludge adsorption: 23.82 percent Total to Air: 0.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.497 5.29 1000 Water 23.9 360 1000 Soil 73.4 720 1000 Sediment 2.25 3.24e+003 0 Persistence Time: 474 hr
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