Cite this record
CSID:492640, http://www.jonathanlewisforcongress.com/Chemical-Structure.492640.html (accessed 23:16, Sep 9, 2021) CopyCopied
You are watching: Draw the structure of 1,1-diethoxycyclohexane.
More More
| Density: |
0.9±0.1 g/cm3 |
| Boiling Point: |
208.8±8.0 °C at 760 mmHg |
| Vapour Pressure: |
0.3±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: |
42.7±3.0 kJ/mol |
| Flash Point: |
61.9±18.0 °C |
| Index of Refraction: |
1.439 |
| Molar Refractivity: |
49.7±0.4 cm3 |
| #H bond acceptors: |
2 |
| #H bond donors: |
0 |
| #Freely Rotating Bonds: |
4 |
| #Rule of 5 Violations: |
0 |
| ACD/LogP: |
2.11 |
| ACD/LogD (pH 5.5): |
2.20 |
| ACD/BCF (pH 5.5): |
27.62 |
| ACD/KOC (pH 5.5): |
374.31 |
| ACD/LogD (pH 7.4): |
2.20 |
| ACD/BCF (pH 7.4): |
27.62 |
| ACD/KOC (pH 7.4): |
374.31 |
| Polar Surface Area: |
18 Å2 |
| Polarizability: |
19.7±0.5 10-24cm3 |
| Surface Tension: |
28.7±5.0 dyne/cm |
| Molar Volume: |
189.1±5.0 cm3 |
See more: How Long For Phenibut To Kick In Your System? How Long Does Phenibut Stay In Your System
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 210.26 (Adapted Stein & Brown method) Melting Pt (deg C): -7.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.317 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 457.4 log Kow used: 2.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8662.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) : Bond Method : 3.23E-005 atm-m3/mole Group Method: 2.45E-006 atm-m3/mole Henrys LC : 1.571E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) : Log Kow used: 2.48 (KowWin est) Log Kaw used: -2.879 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.359 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0292 Biowin2 (Non-Linear Model) : 0.0018 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8011 (weeks ) Biowin4 (Primary Survey Model) : 3.5797 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4060 Biowin6 (MITI Non-Linear Model): 0.2541 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1867 Ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 39.1 Pa (0.293 mm Hg) Log Koa (Koawin est ): 5.359 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.68E-008 Octanol/air (Koa) model: 5.61E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.77E-006 Mackay model : 6.14E-006 Octanol/air (Koa) model: 4.49E-006 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.8063 E-12 cm3/molecule-sec Half-Life = 0.199 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.385 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.46E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 16.66 Log Koc: 1.222 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.209 (BCF = 16.2) log Kow used: 2.48 (estimated) Volatilization from Water: Henry LC: 2.45E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 315 hours (13.12 days) Half-Life from Model Lake : 3546 hours (147.8 days) Removal In Wastewater Treatment: Total removal: 3.17 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.94 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.493 4.77 1000 Water 27.5 360 1000 Soil 71.8 720 1000 Sediment 0.186 3.24e+003 0 Persistence Time: 442 hr
Click to predict properties on the Chemicalize site
Search jonathanlewisforcongress.com:
Search Google:
See more: Riddle: What Goes Up And Down But Does Not Move S? Riddle: What Goes Up And Down Without Moving
| Patents |
Personal Collections |
| Publication or Magazine Article |
Web-based Article (blog or commentary) |
| Available Chemicals Databases |
Biological Properties |
| Chemical Reactions |
Chemical Safety Data |
| Drugs or Compounds in Development |
Imaging Agents |
| Information Aggregators |
Journal Publishers via MeSH |
| Ligand/binding/crystal Structure Databases |
Metabolic Pathways |
| Molecular Libraries Screening Center Network |
Natural Products |
| NIH Substance Repository |
Physical Properties (including SAR/QSAR databases) |
| Protein 3D Structures |
Spectroscopy Databases |
| Substance Vendors |
Theoretical Properties |
| Toxicology/Environmental Databases |
Virtual Library |
