ChemSpider 2D Image | Irisresorcinol | C21H34O2

Irisresorcinol

  • Molecular FormulaC21H34O2
  • Average mass318.493 Da
  • Monoisotopic mass318.255890 Da
  • ChemSpider ID103875475

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenediol, 5-[(10Z)-10-pentadecen-1-yl]- [ACD/Index Name]
5-[(10Z)-10-Pentadecen-1-yl]-1,3-benzenediol [ACD/IUPAC Name]
5-[(10Z)-10-Pentadécén-1-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
5-[(10Z)-10-Pentadecen-1-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
52483-20-2 [RN]
Irisresorcinol
(Z)-5-(pentadec-10-en-1-yl)benzene-1,3-diol
5-((Z)-pentadec-10-en-1-yl)resorcinol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 452.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 196.3±15.0 °C
Index of Refraction: 1.522
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 98649.92
ACD/KOC (pH 5.5): 130720.15
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 97960.12
ACD/KOC (pH 7.4): 129806.09
Polar Surface Area: 40 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 327.3±3.0 cm3

Click to predict properties on the Chemicalize site


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