Diisopropyl ether C6H14O structure – Flashcards
Flashcard maker : Daniel Thompson
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
- Retention Index (Linear):
Molecular Formula | C6H14O |
Average mass | 102.175 Da |
Density | 0.8±0.1 g/cm3 |
Boiling Point | 68.3±0.0 °C at 760 mmHg |
Flash Point | -12.8±0.0 °C |
Molar Refractivity | 31.5±0.3 cm3 |
Polarizability | 12.5±0.5 10-24cm3 |
Surface Tension | 20.1±3.0 dyne/cm |
Molar Volume | 134.7±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: | 0.8±0.1 g/cm3 |
Boiling Point: | 68.3±0.0 °C at 760 mmHg |
Vapour Pressure: | 152.3±0.1 mmHg at 25°C |
Enthalpy of Vaporization: | 29.1±0.0 kJ/mol |
Flash Point: | -12.8±0.0 °C |
Index of Refraction: | 1.384 |
Molar Refractivity: | 31.5±0.3 cm3 |
#H bond acceptors: | 1 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 2 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 1.68 |
ACD/LogD (pH 5.5): | 1.88 |
ACD/BCF (pH 5.5): | 15.74 |
ACD/KOC (pH 5.5): | 250.30 |
ACD/LogD (pH 7.4): | 1.88 |
ACD/BCF (pH 7.4): | 15.74 |
ACD/KOC (pH 7.4): | 250.30 |
Polar Surface Area: | 9 Å2 |
Polarizability: | 12.5±0.5 10-24cm3 |
Surface Tension: | 20.1±3.0 dyne/cm |
Molar Volume: | 134.7±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) = 1.88 Log Kow (Exper. database match) = 1.52 Exper. Ref: Funasaki,N et al. (1985) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 67.34 (Adapted Stein & Brown method) Melting Pt (deg C): -98.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 151 (Mean VP of Antoine & Grain methods) MP (exp database): -86.8 deg C BP (exp database): 68.5 deg C VP (exp database): 1.49E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5800 log Kow used: 1.52 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 8800 mg/L (20 deg C) Exper. Ref: HEITMANN,W ET AL (1987) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15525 mg/L Wat Sol (Exper. database match) = 8800.00 Exper. Ref: HEITMANN,W ET AL (1987) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.68E-003 atm-m3/mole Group Method: 4.99E-003 atm-m3/mole Exper Database: 2.28E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.500E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.52 (exp database) Log Kaw used: -1.031 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.551 Log Koa (experimental database): 2.660 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3515 Biowin2 (Non-Linear Model) : 0.1334 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9647 (weeks ) Biowin4 (Primary Survey Model) : 3.6906 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3099 Biowin6 (MITI Non-Linear Model): 0.3423 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0712 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): 1.99E+004 Pa (149 mm Hg) Log Koa (Exp database): 2.660 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.51E-010 Octanol/air (Koa) model: 1.12E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.45E-009 Mackay model : 1.21E-008 Octanol/air (Koa) model: 8.98E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.3371 E-12 cm3/molecule-sec Half-Life = 0.439 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.274 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.77E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10.5 Log Koc: 1.021 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 = 0.470 (BCF = 2.954) log Kow used: 1.52 (expkow database) Volatilization from Water: Henry LC: 0.00228 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.291 hours Half-Life from Model Lake : 98.84 hours (4.118 days) Removal In Wastewater Treatment: Total removal: 48.59 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.14 percent Total to Air: 47.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 19.4 25.2 1000 Water 61 360 1000 Soil 19.5 720 1000 Sediment 0.147 3.24e+003 0 Persistence Time: 108 hr
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