2-naphtholate C10H7O structure

C10H7O structure
Molecular Formula C10H7O
Average mass 143.163 Da
Boiling Point 285.5±0.0 °C at 760 mmHg
Flash Point 144.0±10.6 °C
Molar Refractivity
Surface Tension
Molar Volume

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

Boiling Point: 285.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 144.0±10.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.86
ACD/KOC (pH 5.5): 925.75
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.22
ACD/KOC (pH 7.4): 919.61
Polar Surface Area: 23 Å2
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.69
Log Kow (Exper. database match) = 2.70
Exper. Ref: Hansch,C et al. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 282.86 (Adapted Stein & Brown method)
Melting Pt (deg C): 67.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000164 (Modified Grain method)
MP (exp database): 123 deg C
BP (exp database): 285 deg C
VP (exp database): 3.20E-04 mm Hg at 25 deg C
Subcooled liquid VP: 0.00298 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): 1512
log Kow used: 2.70 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 755 mg/L (25 deg C)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1244.5 mg/L
Wat Sol (Exper. database match) = 755.00
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 5.47E-008 atm-m3/mole
Group Method: 4.55E-008 atm-m3/mole
Exper Database: 2.74E-08 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.058E-008 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.70 (exp database)
Log Kaw used: -5.951 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.651
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7947
Biowin2 (Non-Linear Model) : 0.8665
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9369 (weeks )
Biowin4 (Primary Survey Model) : 3.6794 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4050
Biowin6 (MITI Non-Linear Model): 0.4238
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2488
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): 0.397 Pa (0.00298 mm Hg)
Log Koa (Koawin est ): 8.651
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.55E-006 
Octanol/air (Koa) model: 0.00011 
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000273 
Mackay model : 0.000604 
Octanol/air (Koa) model: 0.00872 
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 200.1400 E-12 cm3/molecule-sec
Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.641 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.000438 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 2976
Log Koc: 3.474 
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 = 1.379 (BCF = 23.93)
log Kow used: 2.70 (expkow database)
Volatilization from Water:
Henry LC: 2.74E-008 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 2.566E+004 hours (1069 days)
Half-Life from Model Lake : 2.8E+005 hours (1.167E+004 days)
Removal In Wastewater Treatment:
Total removal: 3.81 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.70 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 0.119 1.51 1000 
Water 24.3 360 1000 
Soil 75.3 720 1000 
Sediment 0.237 3.24e+003 0 
Persistence Time: 501 hr

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