1,2-Diiodoethane C2H4I2 structure – Flashcards
Flashcard maker : Ray Collins
Contents
| Molecular Formula | C2H4I2 |
| Average mass | 281.862 Da |
| Density | 2.8±0.1 g/cm3 |
| Boiling Point | 206.0±8.0 °C at 760 mmHg |
| Flash Point | 100.9±13.9 °C |
| Molar Refractivity | 37.3±0.3 cm3 |
| Polarizability | 14.8±0.5 10-24cm3 |
| Surface Tension | 47.0±3.0 dyne/cm |
| Molar Volume | 99.2±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 2.8±0.1 g/cm3 |
| Boiling Point: | 206.0±8.0 °C at 760 mmHg |
| Vapour Pressure: | 0.3±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 42.4±3.0 kJ/mol |
| Flash Point: | 100.9±13.9 °C |
| Index of Refraction: | 1.675 |
| Molar Refractivity: | 37.3±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.56 |
| ACD/LogD (pH 5.5): | 2.67 |
| ACD/BCF (pH 5.5): | 63.17 |
| ACD/KOC (pH 5.5): | 676.75 |
| ACD/LogD (pH 7.4): | 2.67 |
| ACD/BCF (pH 7.4): | 63.17 |
| ACD/KOC (pH 7.4): | 676.75 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 14.8±0.5 10-24cm3 |
| Surface Tension: | 47.0±3.0 dyne/cm |
| Molar Volume: | 99.2±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) = 2.84 Log Kow (Exper. database match) = 2.71 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 193.88 (Adapted Stein & Brown method) Melting Pt (deg C): -22.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.133 (Modified Grain method) MP (exp database): 83 deg C BP (exp database): 200 deg C Subcooled liquid VP: 0.476 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): 75.81 log Kow used: 2.71 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 170 mg/L (25 deg C) Exper. Ref: WAKITA,K ET AL (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 295.5 mg/L Wat Sol (Exper. database match) = 170.00 Exper. Ref: WAKITA,K ET AL (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.45E-004 atm-m3/mole Group Method: 1.28E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.506E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.71 (exp database) Log Kaw used: -1.652 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.362 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6134 Biowin2 (Non-Linear Model) : 0.2702 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5763 (weeks-months) Biowin4 (Primary Survey Model) : 3.4411 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0276 Biowin6 (MITI Non-Linear Model): 0.0086 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8881 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): 63.5 Pa (0.476 mm Hg) Log Koa (Koawin est ): 4.362 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.73E-008 Octanol/air (Koa) model: 5.65E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.71E-006 Mackay model : 3.78E-006 Octanol/air (Koa) model: 4.52E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4554 E-12 cm3/molecule-sec Half-Life = 23.486 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.74E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 43.79 Log Koc: 1.641 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.619E-006 L/mol-sec Kb Half-Life at pH 8: 4754.796 years Kb Half-Life at pH 7: 4.755E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.387 (BCF = 24.36) log Kow used: 2.71 (expkow database) Volatilization from Water: Henry LC: 0.000128 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.392 hours Half-Life from Model Lake : 243.2 hours (10.13 days) Removal In Wastewater Treatment: Total removal: 9.63 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.60 percent Total to Air: 5.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.55 564 1000 Water 17.7 900 1000 Soil 76.6 1.8e+003 1000 Sediment 0.217 8.1e+003 0 Persistence Time: 812 hr
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