Propylene oxide C3H6O structure – Flashcards
Flashcard maker : Marie Florence
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Flash Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
| Molecular Formula | C3H6O |
| Average mass | 58.079 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 32.9±8.0 °C at 760 mmHg |
| Flash Point | -37.2±0.0 °C |
| Molar Refractivity | 15.5±0.3 cm3 |
| Polarizability | 6.2±0.5 10-24cm3 |
| Surface Tension | 25.2±3.0 dyne/cm |
| Molar Volume | 64.3±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 32.9±8.0 °C at 760 mmHg |
| Vapour Pressure: | 572.5±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 27.4±0.0 kJ/mol |
| Flash Point: | -37.2±0.0 °C |
| Index of Refraction: | 1.399 |
| Molar Refractivity: | 15.5±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.13 |
| ACD/LogD (pH 5.5): | 0.12 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 27.59 |
| ACD/LogD (pH 7.4): | 0.12 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 27.59 |
| Polar Surface Area: | 13 Å2 |
| Polarizability: | 6.2±0.5 10-24cm3 |
| Surface Tension: | 25.2±3.0 dyne/cm |
| Molar Volume: | 64.3±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) = 0.37 Log Kow (Exper. database match) = 0.03 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 31.32 (Adapted Stein & Brown method) Melting Pt (deg C): -100.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 532 (Mean VP of Antoine & Grain methods) MP (exp database): -111.9 deg C BP (exp database): 35 deg C VP (exp database): 5.38E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.293e+005 log Kow used: 0.03 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 5.9e+005 mg/L (25 deg C) Exper. Ref: BOGYO,DA ET AL. (1980) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.28e+005 mg/L Wat Sol (Exper. database match) = 590000.00 Exper. Ref: BOGYO,DA ET AL. (1980) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.60E-004 atm-m3/mole Group Method: 1.23E-004 atm-m3/mole Exper Database: 6.96E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.144E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.03 (exp database) Log Kaw used: -2.546 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.576 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3725 Biowin2 (Non-Linear Model) : 0.2235 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0621 (weeks ) Biowin4 (Primary Survey Model) : 3.7542 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5734 Biowin6 (MITI Non-Linear Model): 0.7044 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4187 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.17E+004 Pa (538 mm Hg) Log Koa (Koawin est ): 2.576 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.18E-011 Octanol/air (Koa) model: 9.25E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.51E-009 Mackay model : 3.35E-009 Octanol/air (Koa) model: 7.4E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.5986 E-12 cm3/molecule-sec Half-Life = 17.870 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.43E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.324 Log Koc: 0.366 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 7.699E-002 L/mol-sec Ka Half-Life at pH 7: 2.853 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.03 (expkow database) Volatilization from Water: Henry LC: 6.96E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 7.189 hours Half-Life from Model Lake : 142.3 hours (5.93 days) Removal In Wastewater Treatment: Total removal: 5.33 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.70 percent Total to Air: 3.54 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 15.4 494 1000 Water 44 360 1000 Soil 40.6 720 1000 Sediment 0.0812 3.24e+003 0 Persistence Time: 292 hr
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