Iodoethene C2H3I structure – Flashcards
Flashcard maker : Mary Moore
Contents
| Molecular Formula | C2H3I |
| Average mass | 153.950 Da |
| Density | 2.0±0.1 g/cm3 |
| Boiling Point | 56.0±9.0 °C at 760 mmHg |
| Flash Point | 6.2±13.1 °C |
| Molar Refractivity | 24.0±0.3 cm3 |
| Polarizability | 9.5±0.5 10-24cm3 |
| Surface Tension | 28.7±3.0 dyne/cm |
| Molar Volume | 75.5±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: | 2.0±0.1 g/cm3 |
| Boiling Point: | 56.0±9.0 °C at 760 mmHg |
| Vapour Pressure: | 243.5±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 28.6±3.0 kJ/mol |
| Flash Point: | 6.2±13.1 °C |
| Index of Refraction: | 1.549 |
| Molar Refractivity: | 24.0±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.10 |
| ACD/LogD (pH 5.5): | 1.72 |
| ACD/BCF (pH 5.5): | 11.95 |
| ACD/KOC (pH 5.5): | 205.53 |
| ACD/LogD (pH 7.4): | 1.72 |
| ACD/BCF (pH 7.4): | 11.95 |
| ACD/KOC (pH 7.4): | 205.53 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 9.5±0.5 10-24cm3 |
| Surface Tension: | 28.7±3.0 dyne/cm |
| Molar Volume: | 75.5±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) = 1.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 87.11 (Adapted Stein & Brown method) Melting Pt (deg C): -83.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 244 (Mean VP of Antoine & Grain methods) BP (exp database): 56 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1589 log Kow used: 1.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3279.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.76E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.111E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.95 (KowWin est) Log Kaw used: -0.499 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.449 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6743 Biowin2 (Non-Linear Model) : 0.6948 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8590 (weeks ) Biowin4 (Primary Survey Model) : 3.6256 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2727 Biowin6 (MITI Non-Linear Model): 0.1379 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6155 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): 3.23E+004 Pa (242 mm Hg) Log Koa (Koawin est ): 2.449 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.3E-011 Octanol/air (Koa) model: 6.9E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.36E-009 Mackay model : 7.44E-009 Octanol/air (Koa) model: 5.52E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.8380 E-12 cm3/molecule-sec Half-Life = 1.564 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.770 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.024500 E-17 cm3/molecule-sec Half-Life = 46.775 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 5.4E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 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 = 0.798 (BCF = 6.282) log Kow used: 1.95 (estimated) Volatilization from Water: Henry LC: 0.00776 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.36 hours Half-Life from Model Lake : 118.9 hours (4.953 days) Removal In Wastewater Treatment: Total removal: 75.44 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.87 percent Total to Air: 74.54 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 26.8 36.3 1000 Water 60.9 360 1000 Soil 12.1 720 1000 Sediment 0.204 3.24e+003 0 Persistence Time: 103 hr
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