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Inherent Properties, Identifiers and References
ChemSpider ID: 20581463
Empirical Formula: C19H28O
Molecular Weight: 272.425
Nominal Mass: 272 Da
Average Mass: 272.425 Da
Monoisotopic Mass: 272.214016 Da
Quick Links: Permalink Similar Isomers
Systematic Name:
SMILES: O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@]1(C)/C=C\C[C@H]12)[C@@H2]4
InChI:
InChIKey: -
(Details...) Original Reference(s)
Data SourceExternal ID(s)
Antony_WilliamsN/A
(Details...) Predicted Properties
LogP: ACD/LogP: 5.31
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 1 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: 17.07 Å2
Index of Refraction: 1.529 Molar Refractivity: 81.5 cm3
Molar Volume: 263.9 cm3 Polarizability: 32.31 10-24cm3
Surface Tension: 36.8 dyne/cm Density: 1.032 g/cm3
Flash Point: 157.7 °C Enthalpy of Vaporization: 61.87 kJ/mol
Boiling Point: 371.6 °C at 760 mmHg Vapour Pressure: mmHg at 25°C