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26040-98-2

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Basic Information
CAS No.: 26040-98-2
Name: 1-Pentacosanol
Article Data: 8
Molecular Structure:
Molecular Structure of 26040-98-2 (1-Pentacosanol)
Formula: C25H52O
Molecular Weight: 368.687
Synonyms: Pentacosylalcohol;n-Pentacosanol;pentacosyl alcohol;pentacosan-1-ol;
EINECS: 247-427-0
Density: 0.84 g/cm3
Melting Point: 71-73 °C
Boiling Point: 403.4 °C at 760 mmHg
Flash Point: 140.6 °C
PSA: 20.23000
LogP: 8.97090
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Specification

The 1-Pentacosanol, with the CAS registry number 26040-98-2, is also known as pentacosyl alcohol. Its EINECS number is 247-427-0. his chemical's molecular formula is C25H52O and molecular weight is 368.68. What's more, its systematic name is pentacosan-1-ol.

Physical properties of 1-Pentacosanol are:(1)ACD/LogP: 12.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.03; (4)ACD/LogD (pH 7.4): 12.03; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 119.4 cm3; (15)Molar Volume: 438.7 cm3; (16)Polarizability: 47.33×10-24 m3; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.84 g/cm3; (19)Flash Point: 140.6 °C; (20)Enthalpy of Vaporization: 75.66 kJ/mol; (21)Boiling Point: 403.4 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3
(3)InChIKey: IACKKVBKKNJZGN-UHFFFAOYAZ