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Inherent Properties, Identifiers and References
ChemSpider ID: 11444758
Empirical Formula: C16H32O
Molecular Weight: 240.4247
Nominal Mass: Da
Average Mass: Da
Monoisotopic Mass: Da
Systematic Name:
SMILES: [CH2]CCCCCCCCCCCCCCC[O]
InChI: InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h1-16H​2
InChIKey: XLENSBXUTUFHEB-UHFFFAOYAM
Std. InChI: InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h1-16​H2
Std. InChIKey: XLENSBXUTUFHEB-UHFFFAOYSA-N
(Details...) Predicted Properties
LogP: # of Rule of 5 Violations:
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: 0 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: 2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C