naphthylamine C10H9N structure – Flashcards
Flashcard maker : Charlotte Small
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental LogP:
- Experimental Flash Point:
- Experimental Gravity:
- Experimental Solubility:
- Predicted Melting Point:
- Appearance:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Lee):
- Retention Index (Normal Alkane):
- Retention Index (Linear):
| Molecular Formula | C10H9N |
| Average mass | 143.185 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 301.0±0.0 °C at 760 mmHg |
| Flash Point | 152.1±14.6 °C |
| Molar Refractivity | 48.3±0.3 cm3 |
| Polarizability | 19.2±0.5 10-24cm3 |
| Surface Tension | 51.4±3.0 dyne/cm |
| Molar Volume | 125.8±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: | 1.1±0.1 g/cm3 |
| Boiling Point: | 301.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.6 mmHg at 25°C |
| Enthalpy of Vaporization: | 54.1±3.0 kJ/mol |
| Flash Point: | 152.1±14.6 °C |
| Index of Refraction: | 1.694 |
| Molar Refractivity: | 48.3±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 2 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.17 |
| ACD/LogD (pH 5.5): | 2.28 |
| ACD/BCF (pH 5.5): | 31.23 |
| ACD/KOC (pH 5.5): | 402.99 |
| ACD/LogD (pH 7.4): | 2.30 |
| ACD/BCF (pH 7.4): | 32.81 |
| ACD/KOC (pH 7.4): | 423.32 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 19.2±0.5 10-24cm3 |
| Surface Tension: | 51.4±3.0 dyne/cm |
| Molar Volume: | 125.8±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) = 2.25 Log Kow (Exper. database match) = 2.25 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 293.14 (Adapted Stein & Brown method) Melting Pt (deg C): 70.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00112 (Modified Grain method) MP (exp database): 49.2 deg C BP (exp database): 300.8 deg C VP (exp database): 4.18E-03 mm Hg at 25 deg C Subcooled liquid VP: 0.00725 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 972.7 log Kow used: 2.25 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1700 mg/L (20 deg C) Exper. Ref: DRAGUN,J & HELLING,CS (1985) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 511.81 mg/L Wat Sol (Exper. database match) = 1700.00 Exper. Ref: DRAGUN,J & HELLING,CS (1985) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-007 atm-m3/mole Group Method: 1.51E-007 atm-m3/mole Exper Database: 1.11E-07 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.169E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.25 (exp database) Log Kaw used: -5.343 (exp database) Log Koa (KOAWIN v1.10 estimate): 7.593 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4456 Biowin2 (Non-Linear Model) : 0.2826 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7478 (weeks-months) Biowin4 (Primary Survey Model) : 3.5328 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1860 Biowin6 (MITI Non-Linear Model): 0.1199 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1097 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): 0.967 Pa (0.00725 mm Hg) Log Koa (Koawin est ): 7.593 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.1E-006 Octanol/air (Koa) model: 9.62E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000112 Mackay model : 0.000248 Octanol/air (Koa) model: 0.000769 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.0000 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.642 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00018 (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 = 1.033 (BCF = 10.78) log Kow used: 2.25 (expkow database) Volatilization from Water: Henry LC: 1.11E-007 atm-m3/mole (Henry experimental database) Half-Life from Model River: 6313 hours (263 days) Half-Life from Model Lake : 6.897E+004 hours (2874 days) Removal In Wastewater Treatment: Total removal: 2.56 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.46 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.067 1.28 1000 Water 26.2 900 1000 Soil 73.6 1.8e+003 1000 Sediment 0.141 8.1e+003 0 Persistence Time: 897 hr
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