Butylcyclopentane C9H18 structure – Flashcards
Contents
| Molecular Formula | C9H18 |
| Average mass | 126.239 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 156.1±3.0 °C at 760 mmHg |
| Flash Point | 34.7±10.6 °C |
| Molar Refractivity | 41.7±0.3 cm3 |
| Polarizability | 16.5±0.5 10-24cm3 |
| Surface Tension | 27.2±3.0 dyne/cm |
| Molar Volume | 159.3±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: | 0.8±0.1 g/cm3 |
| Boiling Point: | 156.1±3.0 °C at 760 mmHg |
| Vapour Pressure: | 3.8±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 36.2±0.0 kJ/mol |
| Flash Point: | 34.7±10.6 °C |
| Index of Refraction: | 1.436 |
| Molar Refractivity: | 41.7±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.91 |
| ACD/LogD (pH 5.5): | 4.35 |
| ACD/BCF (pH 5.5): | 1196.19 |
| ACD/KOC (pH 5.5): | 5555.05 |
| ACD/LogD (pH 7.4): | 4.35 |
| ACD/BCF (pH 7.4): | 1196.19 |
| ACD/KOC (pH 7.4): | 5555.05 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 16.5±0.5 10-24cm3 |
| Surface Tension: | 27.2±3.0 dyne/cm |
| Molar Volume: | 159.3±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) = 4.58Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 150.54 (Adapted Stein & Brown method)
Melting Pt (deg C): -48.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.83 (Mean VP of Antoine & Grain methods)
MP (exp database): -108 deg C
BP (exp database): 156.6 deg C
VP (exp database): 4.00E+00 mm Hg at 25 deg CWater Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.418
log Kow used: 4.58 (estimated)
no-melting pt equation usedWater Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.1613 mg/LECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral OrganicsHenrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 5.97E-001 atm-m3/mole
Group Method: 6.58E-001 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 1.861E-001 atm-m3/moleLog Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.58 (KowWin est)
Log Kaw used: 1.388 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.192
Log Koa (experimental database): NoneProbability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7959
Biowin2 (Non-Linear Model) : 0.9552
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2185 (weeks )
Biowin4 (Primary Survey Model) : 3.9347 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5766
Biowin6 (MITI Non-Linear Model): 0.7322
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0762
Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.9744
BioHC Half-Life (days) : 9.4271Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 533 Pa (4 mm Hg)
Log Koa (Koawin est ): 3.192
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.62E-009
Octanol/air (Koa) model: 3.82E-010
Fraction sorbed to airborne particulates
