2,4-dimethyl-3-isopropylpentane C10H22 structure – Flashcards
Flashcard maker : Amari Finch
| Molecular Formula | C10H22 |
| Average mass | 142.282 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 154.9±7.0 °C at 760 mmHg |
| Flash Point | 40.2±11.7 °C |
| Molar Refractivity | 48.2±0.3 cm3 |
| Polarizability | 19.1±0.5 10-24cm3 |
| Surface Tension | 21.4±3.0 dyne/cm |
| Molar Volume | 195.1±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.7±0.1 g/cm3 |
| Boiling Point: | 154.9±7.0 °C at 760 mmHg |
| Vapour Pressure: | 4.0±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 37.6±0.8 kJ/mol |
| Flash Point: | 40.2±11.7 °C |
| Index of Refraction: | 1.409 |
| Molar Refractivity: | 48.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.33 |
| ACD/LogD (pH 5.5): | 4.59 |
| ACD/BCF (pH 5.5): | 1825.92 |
| ACD/KOC (pH 5.5): | 7519.11 |
| ACD/LogD (pH 7.4): | 4.59 |
| ACD/BCF (pH 7.4): | 1825.92 |
| ACD/KOC (pH 7.4): | 7519.11 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 19.1±0.5 10-24cm3 |
| Surface Tension: | 21.4±3.0 dyne/cm |
| Molar Volume: | 195.1±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) = 4.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 110.23 (Adapted Stein & Brown method) Melting Pt (deg C): -90.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.74 (Mean VP of Antoine & Grain methods) MP (exp database): -81.7 deg C BP (exp database): 157.1 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.386 log Kow used: 4.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.7234 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.30E+000 atm-m3/mole Group Method: 1.41E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.052E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.96 (KowWin est) Log Kaw used: 2.336 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.624 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6798 Biowin2 (Non-Linear Model) : 0.7287 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8847 (weeks ) Biowin4 (Primary Survey Model) : 3.6425 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0886 Biowin6 (MITI Non-Linear Model): 0.1342 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3047 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0724 BioHC Half-Life (days) : 11.8144 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 457 Pa (3.43 mm Hg) Log Koa (Koawin est ): 2.624 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.56E-009 Octanol/air (Koa) model: 1.03E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.37E-007 Mackay model : 5.25E-007 Octanol/air (Koa) model: 8.26E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.7724 E-12 cm3/molecule-sec Half-Life = 0.909 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.903 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.81E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 993.5 Log Koc: 2.997 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 = 3.118 (BCF = 1312) log Kow used: 4.96 (estimated) Volatilization from Water: Henry LC: 5.3 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.217 hours Half-Life from Model Lake : 113.3 hours (4.721 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.97 percent Total biodegradation: 0.14 percent Total sludge adsorption: 46.98 percent Total to Air: 52.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 12.2 21.8 1000 Water 38.5 360 1000 Soil 8.91 720 1000 Sediment 40.4 3.24e+003 0 Persistence Time: 157 hr
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