ChemSpider 2D Image | 2-[(3-Methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)sulfanyl]benzoic acid | C18H12O4S

2-[(3-Methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)sulfanyl]benzoic acid

  • Molecular FormulaC18H12O4S
  • Average mass324.350 Da
  • Monoisotopic mass324.045624 Da
  • ChemSpider ID30652446

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(3-Methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)sulfanyl]benzoic acid [ACD/IUPAC Name]
2-[(3-Methyl-1,4-dioxo-1,4-dihydro-2-naphthalinyl)sulfanyl]benzoesäure [German] [ACD/IUPAC Name]
Acide 2-[(3-méthyl-1,4-dioxo-1,4-dihydro-2-naphtalényl)sulfanyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 518.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.5±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 6.62
ACD/KOC (pH 5.5): 34.84
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.27
Polar Surface Area: 97 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 224.1±5.0 cm3

Click to predict properties on the Chemicalize site


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