1-Chloronaphthalene C10H7Cl structure – Flashcards
Flashcard maker : Jill Lopez
Contents
Molecular Formula | C10H7Cl |
Average mass | 162.616 Da |
Density | 1.2±0.1 g/cm3 |
Boiling Point | 260.3±9.0 °C at 760 mmHg |
Flash Point | 121.1±0.0 °C |
Molar Refractivity | 49.0±0.3 cm3 |
Polarizability | 19.4±0.5 10-24cm3 |
Surface Tension | 43.0±3.0 dyne/cm |
Molar Volume | 135.5±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.2±0.1 g/cm3 |
Boiling Point: | 260.3±9.0 °C at 760 mmHg |
Vapour Pressure: | 0.0±0.5 mmHg at 25°C |
Enthalpy of Vaporization: | 47.8±3.0 kJ/mol |
Flash Point: | 121.1±0.0 °C |
Index of Refraction: | 1.643 |
Molar Refractivity: | 49.0±0.3 cm3 |
#H bond acceptors: | 0 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 0 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 4.04 |
ACD/LogD (pH 5.5): | 4.20 |
ACD/BCF (pH 5.5): | 909.04 |
ACD/KOC (pH 5.5): | 4564.09 |
ACD/LogD (pH 7.4): | 4.20 |
ACD/BCF (pH 7.4): | 909.04 |
ACD/KOC (pH 7.4): | 4564.09 |
Polar Surface Area: | 0 Å2 |
Polarizability: | 19.4±0.5 10-24cm3 |
Surface Tension: | 43.0±3.0 dyne/cm |
Molar Volume: | 135.5±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) = 3.81 Log Kow (Exper. database match) = 4.00 Exper. Ref: LEI,YD ET AL. (2000) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 260.14 (Adapted Stein & Brown method) Melting Pt (deg C): 34.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0168 (Mean VP of Antoine & Grain methods) MP (exp database): -2.5 deg C BP (exp database): 259 deg C VP (exp database): 2.90E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 25.54 log Kow used: 4.00 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 17.4 mg/L (25 deg C) Exper. Ref: WASIK,SP ET AL. (1981) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.039 mg/L Wat Sol (Exper. database match) = 17.40 Exper. Ref: WASIK,SP ET AL. (1981) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.90E-004 atm-m3/mole Group Method: 3.15E-004 atm-m3/mole Exper Database: 3.55E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.408E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.00 (exp database) Log Kaw used: -1.838 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.838 Log Koa (experimental database): 5.800 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4877 Biowin2 (Non-Linear Model) : 0.2115 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6332 (weeks-months) Biowin4 (Primary Survey Model) : 3.4478 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2920 Biowin6 (MITI Non-Linear Model): 0.1755 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2342 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): 3.87 Pa (0.029 mm Hg) Log Koa (Exp database): 5.800 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.76E-007 Octanol/air (Koa) model: 1.55E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.8E-005 Mackay model : 6.21E-005 Octanol/air (Koa) model: 1.24E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.1948 E-12 cm3/molecule-sec Half-Life = 0.704 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.447 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.5E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3038 Log Koc: 3.483 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 = 2.380 (BCF = 239.9) log Kow used: 4.00 (expkow database) Volatilization from Water: Henry LC: 0.000355 atm-m3/mole (Henry experimental database) Half-Life from Model River: 3.404 hours Half-Life from Model Lake : 144.1 hours (6.003 days) Removal In Wastewater Treatment: Total removal: 38.29 percent Total biodegradation: 0.29 percent Total sludge adsorption: 28.18 percent Total to Air: 9.82 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.01 16.9 1000 Water 10.7 900 1000 Soil 85.8 1.8e+003 1000 Sediment 2.53 8.1e+003 0 Persistence Time: 966 hr
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