3-Methylbut-1-ene C5H10 structure – Flashcards
Contents
| Molecular Formula | C5H10 |
| Average mass | 70.133 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 20.1±0.0 °C at 760 mmHg |
| Flash Point | -56.7±0.0 °C |
| Molar Refractivity | 24.9±0.3 cm3 |
| Polarizability | 9.9±0.5 10-24cm3 |
| Surface Tension | 17.4±3.0 dyne/cm |
| Molar Volume | 106.5±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: | 20.1±0.0 °C at 760 mmHg |
| Vapour Pressure: | 905.3±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 25.6±0.8 kJ/mol |
| Flash Point: | -56.7±0.0 °C |
| Index of Refraction: | 1.384 |
| Molar Refractivity: | 24.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.72 |
| ACD/LogD (pH 5.5): | 2.74 |
| ACD/BCF (pH 5.5): | 71.15 |
| ACD/KOC (pH 5.5): | 736.91 |
| ACD/LogD (pH 7.4): | 2.74 |
| ACD/BCF (pH 7.4): | 71.15 |
| ACD/KOC (pH 7.4): | 736.91 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 9.9±0.5 10-24cm3 |
| Surface Tension: | 17.4±3.0 dyne/cm |
| Molar Volume: | 106.5±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) = 2.59Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 28.20 (Adapted Stein & Brown method)
Melting Pt (deg C): -120.50 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 902 (Mean VP of Antoine & Grain methods)
MP (exp database): -168.5 deg C
BP (exp database): 20.1 deg C
VP (exp database): 9.03E+02 mm Hg at 25 deg CWater Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 242.7
log Kow used: 2.59 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 130 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 169.11 mg/L
Wat Sol (Exper. database match) = 130.00
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral OrganicsHenrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.70E-001 atm-m3/mole
Group Method: Incomplete
Exper Database: 5.40E-01 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.890E-001 atm-m3/moleLog Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.59 (KowWin est)
Log Kaw used: 1.344 (exp database)
Log Koa (KOAWIN v1.10 estimate): 1.246
Log Koa (experimental database): NoneProbability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7142
Biowin2 (Non-Linear Model) : 0.8821
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0442 (weeks )
Biowin4 (Primary Survey Model) : 3.7465 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4722
Biowin6 (MITI Non-Linear Model): 0.6284
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2905
Ready Biodegradability Prediction: NOHydrocarbon
