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1-Hexadecanol

ChemSpider ID: 13870336
Molecular Formula: C₁₆H₃₄O
Monoisotopic mass: 242.260971 Da
Systematic name

1-Hexadecanol
SMILES and InChIs

SMILES:

CCCCCCCCCCCCCCCCO Copied

Std. InChI:

InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 Copied

Std. InChIKey:

BXWNKGSJHAJOGX-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	6.952	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	6.95	ACD/LogD (pH 7.4):	6.95
ACD/BCF (pH 5.5):	113194.50	ACD/BCF (pH 7.4):	113194.50
ACD/KOC (pH 5.5):	144247.00	ACD/KOC (pH 7.4):	144247.00
#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:	77.71 cm³
Molar Volume:	290.149 cm³	Polarizability:	30.807 10^-24cm³
Surface Tension:	31.1450004577637 dyne/cm	Density:	0.836 g/cm³
Flash Point:	135 °C	Enthalpy of Vaporization:	63.982 kJ/mol
Boiling Point:	310.917 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

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