Norbornene C7H10 structure – Flashcards
Flashcard maker : Daniel Jimmerson
Contents
| Molecular Formula | C7H10 |
| Average mass | 94.154 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 96.0±0.0 °C at 760 mmHg |
| Flash Point | -15.0±0.0 °C |
| Molar Refractivity | 29.9±0.3 cm3 |
| Polarizability | 11.9±0.5 10-24cm3 |
| Surface Tension | 35.5±3.0 dyne/cm |
| Molar Volume | 98.5±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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 96.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 50.7±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 32.2±0.8 kJ/mol |
| Flash Point: | -15.0±0.0 °C |
| Index of Refraction: | 1.520 |
| Molar Refractivity: | 29.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.75 |
| ACD/LogD (pH 5.5): | 3.01 |
| ACD/BCF (pH 5.5): | 113.82 |
| ACD/KOC (pH 5.5): | 1031.48 |
| ACD/LogD (pH 7.4): | 3.01 |
| ACD/BCF (pH 7.4): | 113.82 |
| ACD/KOC (pH 7.4): | 1031.48 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 11.9±0.5 10-24cm3 |
| Surface Tension: | 35.5±3.0 dyne/cm |
| Molar Volume: | 98.5±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) = 2.85 Log Kow (Exper. database match) = 3.24 Exper. Ref: Lodge,KB (1999) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 109.63 (Adapted Stein & Brown method) Melting Pt (deg C): -60.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 31.9 (Modified Grain method) MP (exp database): 45 deg C BP (exp database): 96 deg C VP (exp database): 3.92E+01 mm Hg at 25 deg C Subcooled liquid VP: 61.8 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): 60.32 log Kow used: 3.24 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 39.074 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.88E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.552E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.24 (exp database) Log Kaw used: 0.200 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.040 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7027 Biowin2 (Non-Linear Model) : 0.8418 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9911 (weeks ) Biowin4 (Primary Survey Model) : 3.7119 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5285 Biowin6 (MITI Non-Linear Model): 0.5781 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4079 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3789 BioHC Half-Life (days) : 23.9282 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.24E+003 Pa (61.8 mm Hg) Log Koa (Koawin est ): 3.040 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.64E-010 Octanol/air (Koa) model: 2.69E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.32E-008 Mackay model : 2.91E-008 Octanol/air (Koa) model: 2.15E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 61.1919 E-12 cm3/molecule-sec Half-Life = 0.175 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.098 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 2.11E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 286.9 Log Koc: 2.458 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 = 1.795 (BCF = 62.34) log Kow used: 3.24 (expkow database) Volatilization from Water: Henry LC: 0.0388 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.005 hours Half-Life from Model Lake : 92.33 hours (3.847 days) Removal In Wastewater Treatment: Total removal: 93.94 percent Total biodegradation: 0.04 percent Total sludge adsorption: 4.35 percent Total to Air: 89.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.146 0.125 1000 Water 63.5 360 1000 Soil 34.7 720 1000 Sediment 1.68 3.24e+003 0 Persistence Time: 97.1 hr
