1,8-DIIODOOCTANE C8H16I2 structure – Flashcards
Flashcard maker : Clarence Louder
Contents
| Molecular Formula | C8H16I2 |
| Average mass | 366.022 Da |
| Density | 1.8±0.1 g/cm3 |
| Boiling Point | 332.5±0.0 °C at 760 mmHg |
| Flash Point | 145.5±14.5 °C |
| Molar Refractivity | 65.1±0.3 cm3 |
| Polarizability | 25.8±0.5 10-24cm3 |
| Surface Tension | 40.0±3.0 dyne/cm |
| Molar Volume | 198.2±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: | 1.8±0.1 g/cm3 |
| Boiling Point: | 332.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.7 mmHg at 25°C |
| Enthalpy of Vaporization: | 55.2±3.0 kJ/mol |
| Flash Point: | 145.5±14.5 °C |
| Index of Refraction: | 1.570 |
| Molar Refractivity: | 65.1±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 7 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.43 |
| ACD/LogD (pH 5.5): | 4.77 |
| ACD/BCF (pH 5.5): | 2494.15 |
| ACD/KOC (pH 5.5): | 9399.68 |
| ACD/LogD (pH 7.4): | 4.77 |
| ACD/BCF (pH 7.4): | 2494.15 |
| ACD/KOC (pH 7.4): | 9399.68 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 25.8±0.5 10-24cm3 |
| Surface Tension: | 40.0±3.0 dyne/cm |
| Molar Volume: | 198.2±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) = 5.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 298.73 (Adapted Stein & Brown method) Melting Pt (deg C): 32.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00328 (Modified Grain method) Subcooled liquid VP: 0.00382 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.05659 log Kow used: 5.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.2301 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.98E-003 atm-m3/mole Group Method: 1.02E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.791E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.79 (KowWin est) Log Kaw used: -0.914 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.704 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5733 Biowin2 (Non-Linear Model) : 0.1008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3903 (weeks-months) Biowin4 (Primary Survey Model) : 3.3197 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0185 Biowin6 (MITI Non-Linear Model): 0.0099 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0440 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): 0.509 Pa (0.00382 mm Hg) Log Koa (Koawin est ): 6.704 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.89E-006 Octanol/air (Koa) model: 1.24E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000213 Mackay model : 0.000471 Octanol/air (Koa) model: 9.93E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.9269 E-12 cm3/molecule-sec Half-Life = 1.349 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.192 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000342 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1724 Log Koc: 3.236 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.135E-011 L/mol-sec Kb Half-Life at pH 8: 5.312E+008 years Kb Half-Life at pH 7: 5.312E+009 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.756 (BCF = 570.2) log Kow used: 5.79 (estimated) Volatilization from Water: Henry LC: 0.00102 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.05 hours Half-Life from Model Lake : 193.7 hours (8.071 days) Removal In Wastewater Treatment: Total removal: 91.28 percent Total biodegradation: 0.74 percent Total sludge adsorption: 89.24 percent Total to Air: 1.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.79 32.4 1000 Water 4.33 900 1000 Soil 48.5 1.8e+003 1000 Sediment 46.4 8.1e+003 0 Persistence Time: 1.78e+003 hr
Click to predict properties on the Chemicalize site
