Diisopropylamine C6H15N structure – Flashcards
Flashcard maker : William Hopper
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 | C6H15N |
| Average mass | 101.190 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 83.9±0.0 °C at 760 mmHg |
| Flash Point | -6.1±0.0 °C |
| Molar Refractivity | 33.4±0.3 cm3 |
| Polarizability | 13.2±0.5 10-24cm3 |
| Surface Tension | 21.0±3.0 dyne/cm |
| Molar Volume | 137.1±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: | 83.9±0.0 °C at 760 mmHg |
| Vapour Pressure: | 74.0±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 30.4±0.0 kJ/mol |
| Flash Point: | -6.1±0.0 °C |
| Index of Refraction: | 1.402 |
| Molar Refractivity: | 33.4±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.33 |
| ACD/LogD (pH 5.5): | -1.63 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -1.45 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 12 Å2 |
| Polarizability: | 13.2±0.5 10-24cm3 |
| Surface Tension: | 21.0±3.0 dyne/cm |
| Molar Volume: | 137.1±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) = 1.64 Log Kow (Exper. database match) = 1.40 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 87.98 (Adapted Stein & Brown method) Melting Pt (deg C): -77.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.659 (Modified Grain method) MP (exp database): 216-218 deg C BP (exp database): 83.9 deg C VP (exp database): 7.94E+01 mm Hg at 25 deg C Subcooled liquid VP: 6.15E+003 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.531e+004 log Kow used: 1.40 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.1e+005 mg/L (25 deg C) Exper. Ref: PARRISH,CF (1983) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.1167e+005 mg/L Wat Sol (Exper. database match) = 110000.00 Exper. Ref: PARRISH,CF (1983) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.17E-005 atm-m3/mole Group Method: Incomplete Exper Database: 9.60E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.165E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.40 (exp database) Log Kaw used: -2.406 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.806 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8532 Biowin2 (Non-Linear Model) : 0.9359 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0000 (weeks ) Biowin4 (Primary Survey Model) : 3.7450 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3447 Biowin6 (MITI Non-Linear Model): 0.3096 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3634 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.2E+005 Pa (6.15E+003 mm Hg) Log Koa (Koawin est ): 3.806 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.66E-012 Octanol/air (Koa) model: 1.57E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.32E-010 Mackay model : 2.93E-010 Octanol/air (Koa) model: 1.26E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 99.7531 E-12 cm3/molecule-sec Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.287 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.12E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 109 Log Koc: 2.037 Aqueous 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 from regression-based method = 0.378 (BCF = 2.388) log Kow used: 1.40 (expkow database) Volatilization from Water: Henry LC: 9.6E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 7.161 hours Half-Life from Model Lake : 162.5 hours (6.77 days) Removal In Wastewater Treatment: Total removal: 6.58 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 4.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.723 2.57 1000 Water 42.2 360 1000 Soil 57 720 1000 Sediment 0.0954 3.24e+003 0 Persistence Time: 263 hr
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