2-Iodopropane C3H7I structure – Flashcards
Flashcard maker : Henry Smith
Contents
| Molecular Formula | C3H7I |
| Average mass | 169.992 Da |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 91.3±8.0 °C at 760 mmHg |
| Flash Point | 42.2±0.0 °C |
| Molar Refractivity | 28.9±0.3 cm3 |
| Polarizability | 11.4±0.5 10-24cm3 |
| Surface Tension | 27.6±3.0 dyne/cm |
| Molar Volume | 97.3±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: | 1.7±0.1 g/cm3 |
| Boiling Point: | 91.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 61.4±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 30.7±0.0 kJ/mol |
| Flash Point: | 42.2±0.0 °C |
| Index of Refraction: | 1.506 |
| Molar Refractivity: | 28.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.38 |
| ACD/LogD (pH 5.5): | 2.42 |
| ACD/BCF (pH 5.5): | 40.71 |
| ACD/KOC (pH 5.5): | 494.09 |
| ACD/LogD (pH 7.4): | 2.42 |
| ACD/BCF (pH 7.4): | 40.71 |
| ACD/KOC (pH 7.4): | 494.09 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 11.4±0.5 10-24cm3 |
| Surface Tension: | 27.6±3.0 dyne/cm |
| Molar Volume: | 97.3±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) = 2.50 Log Kow (Exper. database match) = 2.89 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 98.58 (Adapted Stein & Brown method) Melting Pt (deg C): -81.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 66.1 (Mean VP of Antoine & Grain methods) MP (exp database): -90 deg C BP (exp database): 89.5 deg C VP (exp database): 4.31E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 209.3 log Kow used: 2.89 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1400 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1703.2 mg/L Wat Sol (Exper. database match) = 1400.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.69E-003 atm-m3/mole Group Method: 1.14E-002 atm-m3/mole Exper Database: 6.89E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.064E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.89 (exp database) Log Kaw used: -0.550 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.440 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6666 Biowin2 (Non-Linear Model) : 0.6445 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8235 (weeks ) Biowin4 (Primary Survey Model) : 3.6025 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1566 Biowin6 (MITI Non-Linear Model): 0.0800 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5111 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): 5.75E+003 Pa (43.1 mm Hg) Log Koa (Koawin est ): 3.440 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.22E-010 Octanol/air (Koa) model: 6.76E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.89E-008 Mackay model : 4.18E-008 Octanol/air (Koa) model: 5.41E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.1724 E-12 cm3/molecule-sec Half-Life = 9.123 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 109.482 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.03E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.212E-009 L/mol-sec Kb Half-Life at pH 8: 9.931E+006 years Kb Half-Life at pH 7: 9.931E+007 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.525 (BCF = 33.52) log Kow used: 2.89 (expkow database) Volatilization from Water: Henry LC: 0.00689 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.441 hours Half-Life from Model Lake : 125 hours (5.21 days) Removal In Wastewater Treatment: Total removal: 73.61 percent Total biodegradation: 0.05 percent Total sludge adsorption: 2.77 percent Total to Air: 70.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 29.1 219 1000 Water 32.4 360 1000 Soil 38.1 720 1000 Sediment 0.442 3.24e+003 0 Persistence Time: 194 hr
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