Diethylamine C4H11N structure – Flashcards
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
- Retention Index (Linear):
| Molecular Formula | C4H11N |
| Average mass | 73.137 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 57.3±8.0 °C at 760 mmHg |
| Flash Point | -28.9±0.0 °C |
| Molar Refractivity | 24.2±0.3 cm3 |
| Polarizability | 9.6±0.5 10-24cm3 |
| Surface Tension | 20.2±3.0 dyne/cm |
| Molar Volume | 103.4±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: | 0.7±0.1 g/cm3 |
| Boiling Point: | 57.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 218.4±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 29.1±0.0 kJ/mol |
| Flash Point: | -28.9±0.0 °C |
| Index of Refraction: | 1.384 |
| Molar Refractivity: | 24.2±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.63 |
| ACD/LogD (pH 5.5): | -2.39 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -2.21 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 12 Å2 |
| Polarizability: | 9.6±0.5 10-24cm3 |
| Surface Tension: | 20.2±3.0 dyne/cm |
| Molar Volume: | 103.4±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) = 0.81
Log Kow (Exper. database match) = 0.58
Exper. Ref: Hansch,C et al. (1995)Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 68.26 (Adapted Stein & Brown method)
Melting Pt (deg C): -79.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 236 (Mean VP of Antoine & Grain methods)
MP (exp database): -49.8 deg C
BP (exp database): 55.5 deg C
VP (exp database): 2.37E+02 mm Hg at 25 deg CWater Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.369e+005
log Kow used: 0.58 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: RIDDICK,JA ET AL. (1986)Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.4079e+005 mg/L
Wat Sol (Exper. database match) = 1000000.00
Exper. Ref: RIDDICK,JA ET AL. (1986)ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic AminesHenrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.93E-005 atm-m3/mole
Group Method: 2.62E-005 atm-m3/mole
Exper Database: 2.55E-05 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 5.198E-005 atm-m3/moleLog Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.58 (exp database)
Log Kaw used: -2.982 (exp database)
Log Koa (KOAWIN v1.10 estimate): 3.562
Log Koa (experimental database): NoneProbability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8666
Biowin2 (Non-Linear Model) : 0.9561
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0620 (weeks )
Biowin4 (Primary Survey Model) : 3.7855 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6275
Biowin6 (MITI Non-Linear Model): 0.7364
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9062
Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 3.16E+004 Pa (237 mm Hg)
Log Koa (Koawin est ): 3.562
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.49E-011
Octanol/air (Koa) model: 8.95E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.43E-009
Mackay model : 7.59E-009
Octanol/air (Koa) model: 7.16E-008Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 80.7070 E-12 cm3/molecule-sec
Half-Life = 0.133 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.590 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 5.51E-009 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidationSoil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 45.59
Log Koc: 1.659Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF fro
