ChemSpider 2D Image | 7-[4-(2-Hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-heptenoic acid | C19H26O5

7-[4-(2-Hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-heptenoic acid

  • Molecular FormulaC19H26O5
  • Average mass334.407 Da
  • Monoisotopic mass334.178009 Da
  • ChemSpider ID26534532

More details:

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

2-Heptenoic acid, 7-[4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]- [ACD/Index Name]
7-[4-(2-Hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-heptenoic acid [ACD/IUPAC Name]
7-[4-(2-Hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-heptensäure [German] [ACD/IUPAC Name]
Acide 7-[4-(2-hydroxyphényl)-2,2-diméthyl-1,3-dioxan-5-yl]-2-hepténoïque [French] [ACD/IUPAC Name]
89425-94-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 158.1±19.4 °C
Index of Refraction: 1.526
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 18.67
ACD/KOC (pH 5.5): 151.74
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 76 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 297.9±3.0 cm3

Click to predict properties on the Chemicalize site


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