2,4,4-Trimethylpent-1-ene C8H16 structure – Flashcards
Contents
| Molecular Formula | C8H16 |
| Average mass | 112.213 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 101.4±0.0 °C at 760 mmHg |
| Flash Point | -6.1±0.0 °C |
| Molar Refractivity | 38.6±0.3 cm3 |
| Polarizability | 15.3±0.5 10-24cm3 |
| Surface Tension | 20.4±3.0 dyne/cm |
| Molar Volume | 155.5±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: | 0.7±0.1 g/cm3 |
| Boiling Point: | 101.4±0.0 °C at 760 mmHg |
| Vapour Pressure: | 40.6±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 32.7±0.8 kJ/mol |
| Flash Point: | -6.1±0.0 °C |
| Index of Refraction: | 1.411 |
| Molar Refractivity: | 38.6±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.15 |
| ACD/LogD (pH 5.5): | 3.73 |
| ACD/BCF (pH 5.5): | 402.06 |
| ACD/KOC (pH 5.5): | 2545.40 |
| ACD/LogD (pH 7.4): | 3.73 |
| ACD/BCF (pH 7.4): | 402.06 |
| ACD/KOC (pH 7.4): | 2545.40 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 15.3±0.5 10-24cm3 |
| Surface Tension: | 20.4±3.0 dyne/cm |
| Molar Volume: | 155.5±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) = 4.08
Log Kow (Exper. database match) = 4.55
Exper. Ref: Chem Inspect Test Inst (1992)Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 87.72 (Adapted Stein & Brown method)
Melting Pt (deg C): -84.49 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 41.4 (Mean VP of Antoine & Grain methods)
MP (exp database): -93.5 deg C
BP (exp database): 101 deg C
VP (exp database): 4.47E+01 mm Hg at 25 deg CWater Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.04
log Kow used: 4.55 (expkow database)
no-melting pt equation usedWater Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 15.992 mg/LECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral OrganicsHenrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 7.46E-001 atm-m3/mole
Group Method: 1.34E+000 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 1.513E+000 atm-m3/moleLog Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.55 (exp database)
Log Kaw used: 1.484 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.066
Log Koa (experimental database): NoneProbability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5102
Biowin2 (Non-Linear Model) : 0.4236
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7391 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5324 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5094
Biowin6 (MITI Non-Linear Model): 0.5620
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0625
Ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.8299
BioHC Half-Life (days) : 6.7589Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor p
