Cyanamide CH2N2 structure – Flashcards
Flashcard maker : Dennis Jennings
Contents
| Molecular Formula | CH2N2 |
| Average mass | 42.040 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 258.5±0.0 °C at 760 mmHg |
| Flash Point | 1.2±22.6 °C |
| Molar Refractivity | 10.1±0.3 cm3 |
| Polarizability | 4.0±0.5 10-24cm3 |
| Surface Tension | 45.4±3.0 dyne/cm |
| Molar Volume | 42.1±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.0±0.1 g/cm3 |
| Boiling Point: | 258.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 49.6±3.0 kJ/mol |
| Flash Point: | 1.2±22.6 °C |
| Index of Refraction: | 1.397 |
| Molar Refractivity: | 10.1±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 2 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -0.82 |
| ACD/LogD (pH 5.5): | -0.66 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 10.43 |
| ACD/LogD (pH 7.4): | -0.66 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 10.43 |
| Polar Surface Area: | 50 Å2 |
| Polarizability: | 4.0±0.5 10-24cm3 |
| Surface Tension: | 45.4±3.0 dyne/cm |
| Molar Volume: | 42.1±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) = -0.81 Log Kow (Exper. database match) = -0.82 Exper. Ref: Tomlin,C (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 112.00 (Adapted Stein & Brown method) Melting Pt (deg C): -36.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 14 (Modified Grain method) MP (exp database): 44 deg C BP (exp database): 83 @ 0.5 mm Hg deg C VP (exp database): 3.75E-03 mm Hg at 20 deg C Subcooled liquid VP: 0.00578 mm Hg (20 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.515e+005 log Kow used: -0.82 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 5e+005 mg/L (25 deg C) Exper. Ref: SHIU,WY ET AL. (1990) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 500000.00 Exper. Ref: SHIU,WY ET AL. (1990) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.32E-005 atm-m3/mole Group Method: Incomplete Exper Database: 2.59E-10 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.189E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.82 (exp database) Log Kaw used: -7.975 (exp database) Log Koa (KOAWIN v1.10 estimate): 7.155 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7275 Biowin2 (Non-Linear Model) : 0.9177 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1063 (weeks ) Biowin4 (Primary Survey Model) : 3.7871 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5871 Biowin6 (MITI Non-Linear Model): 0.7878 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.771 Pa (0.00578 mm Hg) Log Koa (Koawin est ): 7.155 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.89E-006 Octanol/air (Koa) model: 3.51E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000141 Mackay model : 0.000311 Octanol/air (Koa) model: 0.000281 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000226 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.5 Log Koc: 0.653 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 = 0.500 (BCF = 3.162) log Kow used: -0.82 (expkow database) Volatilization from Water: Henry LC: 2.59E-010 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.466E+006 hours (6.107E+004 days) Half-Life from Model Lake : 1.599E+007 hours (6.662E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0061 1e+005 1000 Water 38.9 360 1000 Soil 61 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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