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Inherent Properties, Identifiers and References

ChemSpider ID:	13870336
Empirical Formula:	C₁₆H₃₄O
Molecular Weight:	242.4406
Nominal Mass:	242 Da
Average Mass:	242.4406 Da
Monoisotopic Mass:	242.260966 Da

Systematic Name:

hexadecan-1-ol

SMILES:

CCCCCCCCCCCCCCCCO

InChI:

InChIKey:

-

(Details...)

Predicted Properties

LogP:	ACD/LogP: 7.25	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	7.25	ACD/LogD (pH 7.4):	7.25
ACD/BCF (pH 5.5):	191016.84	ACD/BCF (pH 7.4):	191016.84
ACD/KOC (pH 5.5):	209781.34	ACD/KOC (pH 7.4):	209781.34
#H bond acceptors:	1	#H bond donors:	1
#Freely Rotating Bonds:	15	Polar Surface Area:	20.23 Å²
Index of Refraction:	1.448	Molar Refractivity:	77.7 cm³
Molar Volume:	290.1 cm³	Polarizability:	30.8 10^-24cm³
Surface Tension:	31.1 dyne/cm	Density:	0.835 g/cm³
Flash Point:	135 °C	Enthalpy of Vaporization:	63.98 kJ/mol
Boiling Point:	310.9 °C at 760 mmHg	Vapour Pressure:	5.19E-05 mmHg at 25°C