lactyl lactate C6H10O5 structure

C6H10O5 structure
Molecular Formula C6H10O5
Average mass 162.141 Da
Density 1.3±0.1 g/cm3
Boiling Point 251.1±25.0 °C at 760 mmHg
Flash Point 100.8±16.7 °C
Molar Refractivity 34.6±0.3 cm3
Polarizability 13.7±0.5 10-24cm3
Surface Tension 49.6±3.0 dyne/cm
Molar Volume 123.9±3.0 cm3

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 251.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.7±6.0 kJ/mol
Flash Point: 100.8±16.7 °C
Index of Refraction: 1.471
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.73
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.73
Polar Surface Area: 84 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 123.9±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) = -2.27
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 222.90 (Adapted Stein & Brown method)
Melting Pt (deg C): 11.70 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.012 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -2.27 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.53E-003 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.560E-009 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -2.27 (KowWin est)
Log Kaw used: -1.204 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -1.066
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9878
Biowin2 (Non-Linear Model) : 0.9499
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1608 (weeks )
Biowin4 (Primary Survey Model) : 3.8727 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4515
Biowin6 (MITI Non-Linear Model): 0.4237
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6108
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): 1.47 Pa (0.011 mm Hg)
Log Koa (Koawin est ): -1.066
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.05E-006 
Octanol/air (Koa) model: 2.11E-014 
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.39E-005 
Mackay model : 0.000164 
Octanol/air (Koa) model: 1.69E-012 
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 4.8244 E-12 cm3/molecule-sec
Half-Life = 2.217 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 26.605 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.000119 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 10
Log Koc: 1.000 
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 2.376E+004 L/mol-sec
Kb Half-Life at pH 8: 29.172 seconds
Kb Half-Life at pH 7: 4.862 minutes
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: -2.27 (estimated)
Volatilization from Water:
Henry LC: 0.00153 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.787 hours
Half-Life from Model Lake : 126.3 hours (5.261 days)
Removal In Wastewater Treatment:
Total removal: 39.45 percent
Total biodegradation: 0.06 percent
Total sludge adsorption: 1.18 percent
Total to Air: 38.22 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 28.9 53.2 1000 
Water 58 360 1000 
Soil 12.9 720 1000 
Sediment 0.106 3.24e+003 0 
Persistence Time: 118 hr

Click to predict properties on the Chemicalize site

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