(±)-Camphor C10H16O structure – Flashcards
Flashcard maker : Ben Russell
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Optical Rotation:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental LogP:
- Experimental Flash Point:
- Experimental Gravity:
- Experimental Solubility:
- Predicted Melting Point:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Bio Activity:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
| Molecular Formula | C10H16O |
| Average mass | 152.233 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 207.4±0.0 °C at 760 mmHg |
| Flash Point | 64.4±0.0 °C |
| Molar Refractivity | 44.4±0.3 cm3 |
| Polarizability | 17.6±0.5 10-24cm3 |
| Surface Tension | 31.6±3.0 dyne/cm |
| Molar Volume | 154.9±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: | 207.4±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.2±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 44.4±3.0 kJ/mol |
| Flash Point: | 64.4±0.0 °C |
| Index of Refraction: | 1.485 |
| Molar Refractivity: | 44.4±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.13 |
| ACD/LogD (pH 5.5): | 2.49 |
| ACD/BCF (pH 5.5): | 45.94 |
| ACD/KOC (pH 5.5): | 538.80 |
| ACD/LogD (pH 7.4): | 2.49 |
| ACD/BCF (pH 7.4): | 45.94 |
| ACD/KOC (pH 7.4): | 538.80 |
| Polar Surface Area: | 17 Å2 |
| Polarizability: | 17.6±0.5 10-24cm3 |
| Surface Tension: | 31.6±3.0 dyne/cm |
| Molar Volume: | 154.9±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) = 3.04 Log Kow (Exper. database match) = 2.38 Exper. Ref: Daylight (1999) Log Kow (Exper. database match) = 2.74 Exper. Ref: Griffin,S et al. (1999) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 203.89 (Adapted Stein & Brown method) Melting Pt (deg C): 28.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0107 (Modified Grain method) MP (exp database): 176 deg C BP (exp database): 204 deg C VP (exp database): 7.20E-02 mm Hg at 25 deg C Subcooled liquid VP: 2.24 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): 339.1 log Kow used: 2.74 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1600 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol (Exper. database match) = 100 mg/L (25 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 706.1 mg/L Wat Sol (Exper. database match) = 1600.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Wat Sol (Exper. database match) = 100.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.00E-005 atm-m3/mole Group Method: Incomplete Exper Database: 8.10E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.321E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.74 (exp database) Log Kaw used: -2.480 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.220 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3140 Biowin2 (Non-Linear Model) : 0.0451 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4160 (weeks-months) Biowin4 (Primary Survey Model) : 3.2990 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5851 Biowin6 (MITI Non-Linear Model): 0.5988 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7836 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): 299 Pa (2.24 mm Hg) Log Koa (Koawin est ): 5.220 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1E-008 Octanol/air (Koa) model: 4.07E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.63E-007 Mackay model : 8.04E-007 Octanol/air (Koa) model: 3.26E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.8767 E-12 cm3/molecule-sec Half-Life = 1.083 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.995 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.83E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 106 Log Koc: 2.025 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 = 1.410 (BCF = 25.69) log Kow used: 2.74 (expkow database) Volatilization from Water: Henry LC: 8.1E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 10.18 hours Half-Life from Model Lake : 214.5 hours (8.937 days) Removal In Wastewater Treatment: Total removal: 7.85 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.79 percent Total to Air: 3.96 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.52 26 1000 Water 18.2 900 1000 Soil 80 1.8e+003 1000 Sediment 0.238 8.1e+003 0 Persistence Time: 843 hr
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