Butyl iodide C4H9I structure – Flashcards
Contents
| Molecular Formula | C4H9I |
| Average mass | 184.019 Da |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 130.9±3.0 °C at 760 mmHg |
| Flash Point | 33.3±0.0 °C |
| Molar Refractivity | 33.5±0.3 cm3 |
| Polarizability | 13.3±0.5 10-24cm3 |
| Surface Tension | 30.0±3.0 dyne/cm |
| Molar Volume | 113.4±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.6±0.1 g/cm3 |
| Boiling Point: | 130.9±3.0 °C at 760 mmHg |
| Vapour Pressure: | 11.7±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 34.7±0.0 kJ/mol |
| Flash Point: | 33.3±0.0 °C |
| Index of Refraction: | 1.504 |
| Molar Refractivity: | 33.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.09 |
| ACD/LogD (pH 5.5): | 2.84 |
| ACD/BCF (pH 5.5): | 85.12 |
| ACD/KOC (pH 5.5): | 837.80 |
| ACD/LogD (pH 7.4): | 2.84 |
| ACD/BCF (pH 7.4): | 85.12 |
| ACD/KOC (pH 7.4): | 837.80 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 13.3±0.5 10-24cm3 |
| Surface Tension: | 30.0±3.0 dyne/cm |
| Molar Volume: | 113.4±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) = 3.06Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 136.01 (Adapted Stein & Brown method)
Melting Pt (deg C): -57.25 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 12 (Mean VP of Antoine & Grain methods)
MP (exp database): -103 deg C
BP (exp database): 130.6 deg C
VP (exp database): 1.39E+01 mm Hg at 25 deg CWater Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 127.2
log Kow used: 3.06 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 202 mg/L (20 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 319.46 mg/L
Wat Sol (Exper. database match) = 202.00
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 : 1.29E-002 atm-m3/mole
Group Method: 1.47E-002 atm-m3/mole
Exper Database: 1.67E-02 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.284E-002 atm-m3/moleLog Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.06 (KowWin est)
Log Kaw used: -0.166 (exp database)
Log Koa (KOAWIN v1.10 estimate): 3.226
Log Koa (experimental database): NoneProbability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7684
Biowin2 (Non-Linear Model) : 0.9037
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0908 (weeks )
Biowin4 (Primary Survey Model) : 3.8513 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3133
Biowin6 (MITI Non-Linear Model): 0.1856
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5168
Ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.85E+003 Pa (13.9 mm Hg)
Log Koa (Koawin est ): 3.226
