2-Iodo-2-methylpropane C4H9I structure – Flashcards
Flashcard maker : Lewis Gardner
Contents
| Molecular Formula | C4H9I |
| Average mass | 184.019 Da |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 98.1±8.0 °C at 760 mmHg |
| Flash Point | 7.8±0.0 °C |
| Molar Refractivity | 33.5±0.3 cm3 |
| Polarizability | 13.3±0.5 10-24cm3 |
| Surface Tension | 27.8±3.0 dyne/cm |
| Molar Volume | 113.4±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.6±0.1 g/cm3 |
| Boiling Point: | 98.1±8.0 °C at 760 mmHg |
| Vapour Pressure: | 46.5±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 31.4±0.0 kJ/mol |
| Flash Point: | 7.8±0.0 °C |
| Index of Refraction: | 1.503 |
| Molar Refractivity: | 33.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.72 |
| ACD/LogD (pH 5.5): | 2.44 |
| ACD/BCF (pH 5.5): | 42.30 |
| ACD/KOC (pH 5.5): | 507.88 |
| ACD/LogD (pH 7.4): | 2.44 |
| ACD/BCF (pH 7.4): | 42.30 |
| ACD/KOC (pH 7.4): | 507.88 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 13.3±0.5 10-24cm3 |
| Surface Tension: | 27.8±3.0 dyne/cm |
| Molar Volume: | 113.4±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) = 2.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 112.95 (Adapted Stein & Brown method) Melting Pt (deg C): -62.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 43 (Mean VP of Antoine & Grain methods) MP (exp database): -38.2 deg C BP (exp database): 100.1 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 158.2 log Kow used: 2.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 786.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.29E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.581E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.95 (KowWin est) Log Kaw used: -0.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.228 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4760 Biowin2 (Non-Linear Model) : 0.2096 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5804 (weeks-months) Biowin4 (Primary Survey Model) : 3.4288 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2335 Biowin6 (MITI Non-Linear Model): 0.0887 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2631 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): 5.45E+003 Pa (40.9 mm Hg) Log Koa (Koawin est ): 3.228 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.5E-010 Octanol/air (Koa) model: 4.15E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.99E-008 Mackay model : 4.4E-008 Octanol/air (Koa) model: 3.32E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4080 E-12 cm3/molecule-sec Half-Life = 26.216 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.19E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.987E-012 L/mol-sec Kb Half-Life at pH 8: 4.404E+009 years Kb Half-Life at pH 7: 4.404E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.574 (BCF = 37.49) log Kow used: 2.95 (estimated) Volatilization from Water: Henry LC: 0.0129 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.446 hours Half-Life from Model Lake : 129.5 hours (5.397 days) Removal In Wastewater Treatment: Total removal: 83.74 percent Total biodegradation: 0.04 percent Total sludge adsorption: 2.77 percent Total to Air: 80.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 35.8 629 1000 Water 37.6 900 1000 Soil 25.8 1.8e+003 1000 Sediment 0.768 8.1e+003 0 Persistence Time: 211 hr
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