ChemSpider 2D Image | 4-{(1Z)-3-[3,5-Bis(2-methyl-2-propanyl)phenyl]-3-oxo-1-propen-1-yl}benzoic acid | C24H28O3

4-{(1Z)-3-[3,5-Bis(2-methyl-2-propanyl)phenyl]-3-oxo-1-propen-1-yl}benzoic acid

  • Molecular FormulaC24H28O3
  • Average mass364.477 Da
  • Monoisotopic mass364.203857 Da
  • ChemSpider ID32821947

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(1Z)-3-[3,5-Bis(2-methyl-2-propanyl)phenyl]-3-oxo-1-propen-1-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{(1Z)-3-[3,5-Bis(2-methyl-2-propanyl)phenyl]-3-oxo-1-propen-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-{(1Z)-3-[3,5-bis(2-méthyl-2-propanyl)phényl]-3-oxo-1-propén-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1Z)-3-[3,5-bis(1,1-dimethylethyl)phenyl]-3-oxo-1-propen-1-yl]- [ACD/Index Name]
(Z)-4-(3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoic acid
110368-33-7 [RN]

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

Ch 55 [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: 509.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 276.0±26.6 °C
Index of Refraction: 1.574
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 2675.75
ACD/KOC (pH 5.5): 3916.78
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 83.55
ACD/KOC (pH 7.4): 122.31
Polar Surface Area: 54 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 335.7±3.0 cm3

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