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68333-80-2

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Basic Information
CAS No.: 68333-80-2
Name: Alcohols, C14-16
Molecular Structure:
Molecular Structure of 68333-80-2 (Alcohols, C14-16)
Formula: C15H32O
Molecular Weight: 228.414
Synonyms: C14-16alcs.;Isalchem 145;
EINECS: 269-790-4
Density: 0.834g/cm3
Boiling Point: 298.5 °C at 760 mmHg
Flash Point: 130.1 °C
PSA: 0.00000
LogP: 0.00000
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Specification

The Alcohols, C14-16, with CAS registry number 68333-80-2, has the systematic name of pentadecan-1-ol. Besides this, it is also called 1-Pentadecanol. Its classification code is TSCA UVCB. And the chemical formula of this chemical is C15H32O. What's more, its EINECS is 269-790-4.

Physical properties of Alcohols, C14-16: (1)ACD/LogP: 6.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.72; (4)ACD/LogD (pH 7.4): 6.72; (5)ACD/BCF (pH 5.5): 75378.14; (6)ACD/BCF (pH 7.4): 75378.14; (7)ACD/KOC (pH 5.5): 107823.26; (8)ACD/KOC (pH 7.4): 107823.26; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 73.07 cm3; (15)Molar Volume: 273.6 cm3; (16)Polarizability: 28.96×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.834 g/cm3; (19)Flash Point: 130.1 °C; (20)Enthalpy of Vaporization: 62.46 kJ/mol; (21)Boiling Point: 298.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000127 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
(3)InChIKey: REIUXOLGHVXAEO-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
(5)Std. InChIKey: REIUXOLGHVXAEO-UHFFFAOYSA-N