Acetylene C2H2 structure – Flashcards
Flashcard maker : August Dunbar
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental LogP:
- Experimental Freezing Point:
- 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):
| Molecular Formula | C2H2 |
| Average mass | 26.037 Da |
| Density | 0.6±0.1 g/cm3 |
| Boiling Point | -84.0±9.0 °C at 760 mmHg |
| Flash Point | -118.7±12.9 °C |
| Molar Refractivity | 9.0±0.3 cm3 |
| Polarizability | 3.6±0.5 10-24cm3 |
| Surface Tension | 16.0±3.0 dyne/cm |
| Molar Volume | 45.8±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.6±0.1 g/cm3 |
| Boiling Point: | -84.0±9.0 °C at 760 mmHg |
| Vapour Pressure: | 69690.6±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 21.1±0.8 kJ/mol |
| Flash Point: | -118.7±12.9 °C |
| Index of Refraction: | 1.316 |
| Molar Refractivity: | 9.0±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.37 |
| ACD/LogD (pH 5.5): | 0.43 |
| ACD/BCF (pH 5.5): | 1.24 |
| ACD/KOC (pH 5.5): | 40.62 |
| ACD/LogD (pH 7.4): | 0.43 |
| ACD/BCF (pH 7.4): | 1.24 |
| ACD/KOC (pH 7.4): | 40.62 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 3.6±0.5 10-24cm3 |
| Surface Tension: | 16.0±3.0 dyne/cm |
| Molar Volume: | 45.8±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) = 0.50 Log Kow (Exper. database match) = 0.37 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -36.63 (Adapted Stein & Brown method) Melting Pt (deg C): -154.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.81E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -80.7 deg C BP (exp database): -84.7 deg C VP (exp database): 4.04E+04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.476e+004 log Kow used: 0.37 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1200 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12559 mg/L Wat Sol (Exper. database match) = 1200.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.40E-002 atm-m3/mole Group Method: 2.45E-002 atm-m3/mole Exper Database: 2.17E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.764E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.37 (exp database) Log Kaw used: -0.052 (exp database) Log Koa (KOAWIN v1.10 estimate): 0.422 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7351 Biowin2 (Non-Linear Model) : 0.9333 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1416 (weeks ) Biowin4 (Primary Survey Model) : 3.8102 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6347 Biowin6 (MITI Non-Linear Model): 0.8550 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4898 BioHC Half-Life (days) : 3.0886 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.39E+006 Pa (4.04E+004 mm Hg) Log Koa (Koawin est ): 0.422 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.57E-013 Octanol/air (Koa) model: 6.49E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.01E-011 Mackay model : 4.46E-011 Octanol/air (Koa) model: 5.19E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8150 E-12 cm3/molecule-sec Half-Life = 13.124 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 3.23E-011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 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: 0.37 (expkow database) Volatilization from Water: Henry LC: 0.0217 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.5345 hours (32.07 min) Half-Life from Model Lake : 48.62 hours (2.026 days) Removal In Wastewater Treatment: Total removal: 89.42 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.41 percent Total to Air: 88.98 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.9 298 1000 Water 47.6 360 1000 Soil 1.44 720 1000 Sediment 0.089 3.24e+003 0 Persistence Time: 130 hr
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