4-Methylnonane C10H22 structure – Flashcards
Contents
| Molecular Formula | C10H22 |
| Average mass | 142.282 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 166.1±7.0 °C at 760 mmHg |
| Flash Point | 37.9±11.4 °C |
| Molar Refractivity | 48.3±0.3 cm3 |
| Polarizability | 19.2±0.5 10-24cm3 |
| Surface Tension | 23.6±3.0 dyne/cm |
| Molar Volume | 194.0±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: | 166.1±7.0 °C at 760 mmHg |
| Vapour Pressure: | 2.4±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 38.6±0.8 kJ/mol |
| Flash Point: | 37.9±11.4 °C |
| Index of Refraction: | 1.413 |
| Molar Refractivity: | 48.3±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 6 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.89 |
| ACD/LogD (pH 5.5): | 4.89 |
| ACD/BCF (pH 5.5): | 3060.24 |
| ACD/KOC (pH 5.5): | 10881.75 |
| ACD/LogD (pH 7.4): | 4.89 |
| ACD/BCF (pH 7.4): | 3060.24 |
| ACD/KOC (pH 7.4): | 10881.75 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 19.2±0.5 10-24cm3 |
| Surface Tension: | 23.6±3.0 dyne/cm |
| Molar Volume: | 194.0±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) = 5.18Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 151.50 (Adapted Stein & Brown method)
Melting Pt (deg C): -55.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.54 (Mean VP of Antoine & Grain methods)
MP (exp database): -99 deg C
BP (exp database): 165.7 deg CWater Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.8985
log Kow used: 5.18 (estimated)
no-melting pt equation usedWater Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.15369 mg/LECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral OrganicsHenrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 5.30E+000 atm-m3/mole
Group Method: 8.10E+000 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 5.293E-001 atm-m3/moleLog Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.18 (KowWin est)
Log Kaw used: 2.336 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.844
Log Koa (experimental database): NoneProbability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7882
Biowin2 (Non-Linear Model) : 0.9444
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1831 (weeks )
Biowin4 (Primary Survey Model) : 3.9115 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5359
Biowin6 (MITI Non-Linear Model): 0.7218
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2697
Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.8885
BioHC Half-Life (days) : 7.7359Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 309 Pa (2.32 mm Hg)
Log Koa (Koawin est ): 2.844
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.7E-009
Octanol/air (Koa) model: 1.71E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.5E-007
Mackay model : 7.76E-007
Octanol/air (Koa) model: 1.37E-008Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.3867 E-12 cm3/molecule-sec
Half-Life = 0.939 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.272 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 5.63
