Chloramine H2ClN structure – Flashcards
Flashcard maker : Jazzlyn Howe
| Molecular Formula | H2ClN |
| Average mass | 51.476 Da |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | |
| Flash Point | |
| Molar Refractivity | 10.4±0.3 cm3 |
| Polarizability | 4.1±0.5 10-24cm3 |
| Surface Tension | 27.3±3.0 dyne/cm |
| Molar Volume | 43.6±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.2±0.1 g/cm3 |
| Boiling Point: | |
| Vapour Pressure: | |
| Enthalpy of Vaporization: | |
| Flash Point: | |
| Index of Refraction: | 1.394 |
| Molar Refractivity: | 10.4±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 2 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.33 |
| ACD/LogD (pH 5.5): | |
| ACD/BCF (pH 5.5): | |
| ACD/KOC (pH 5.5): | |
| ACD/LogD (pH 7.4): | |
| ACD/BCF (pH 7.4): | |
| ACD/KOC (pH 7.4): | |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 4.1±0.5 10-24cm3 |
| Surface Tension: | 27.3±3.0 dyne/cm |
| Molar Volume: | 43.6±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) = -1.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 485.88 (Adapted Stein & Brown method) Melting Pt (deg C): 189.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.16E-009 (Modified Grain method) Subcooled liquid VP: 6.23E-008 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): 1e+006 log Kow used: -1.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.63E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.857E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.19 (KowWin est) Log Kaw used: -2.567 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.377 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7230 Biowin2 (Non-Linear Model) : 0.9070 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0854 (weeks ) Biowin4 (Primary Survey Model) : 3.7735 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5590 Biowin6 (MITI Non-Linear Model): 0.7388 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.31E-006 Pa (6.23E-008 mm Hg) Log Koa (Koawin est ): 1.377 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.361 Octanol/air (Koa) model: 5.85E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.929 Mackay model : 0.967 Octanol/air (Koa) model: 4.68E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.948 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 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 = 0.500 (BCF = 3.162) log Kow used: -1.19 (estimated) Volatilization from Water: Henry LC: 6.63E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.068 hours Half-Life from Model Lake : 137.3 hours (5.72 days) Removal In Wastewater Treatment: Total removal: 5.18 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.70 percent Total to Air: 3.39 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.91 1e+005 1000 Water 37.1 360 1000 Soil 58.9 720 1000 Sediment 0.0679 3.24e+003 0 Persistence Time: 489 hr
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