ChemSpider 2D Image | 12-(9-anthroyloxy)stearic acid | C33H44O4

12-(9-anthroyloxy)stearic acid

  • Molecular FormulaC33H44O4
  • Average mass504.700 Da
  • Monoisotopic mass504.323975 Da
  • ChemSpider ID108714

More details:

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

(±)-12-(9-ANTHROYLOXY)STEARIC ACID
12-(9-anthroyloxy)stearic acid
12-[(9-Anthrylcarbonyl)oxy]octadecanoic acid [ACD/IUPAC Name]
12-[(9-Anthrylcarbonyl)oxy]octadecansäure [German] [ACD/IUPAC Name]
30536-60-8 [RN]
9-Anthracenecarboxylic acid, 11-carboxy-1-hexylundecyl ester [ACD/Index Name]
Acide 12-[(9-anthrylcarbonyl)oxy]octadécanoïque [French] [ACD/IUPAC Name]
(±)-12-(9-anthroyloxy)-stearic acid
12-((Anthracene-9-carbonyl)oxy)octadecanoic acid
12-(9-anthroyloxy) stearic acid
More...

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

039Y7Q32CO [DBID]
UNII:039Y7Q32CO [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 659.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 205.6±17.5 °C
Index of Refraction: 1.567
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 11.40
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1830595.13
ACD/LogD (pH 7.4): 7.85
ACD/BCF (pH 7.4): 130885.60
ACD/KOC (pH 7.4): 29366.24
Polar Surface Area: 64 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 471.2±3.0 cm3

Click to predict properties on the Chemicalize site


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