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97338-13-1

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Basic Information
CAS No.: 97338-13-1
Name: tetracosane-1,2-diol
Molecular Structure:
Molecular Structure of 97338-13-1 (tetracosane-1,2-diol)
Formula: C24H50O2
Molecular Weight: 370.65
Synonyms: tetracosane-1,2-diol;1,2-Tetracosanediol
EINECS: 306-605-9
Density: 0.882 g/cm3
Boiling Point: 487.5 °C at 760 mmHg
Flash Point: 198.7 °C
PSA: 40.46000
LogP: 7.55160
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Specification

This chemical is called 1,2-Tetracosanediol, and its IUPAC name is Tetracosane-1,2-diol. With the molecular formula of C24H50O2, its molecular weight is 370.65. The CAS registry number of this chemical is 97338-13-1.

Other characteristics of the 1,2-Tetracosanediol can be summarised as followings: (1)ACD/LogP: 9.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.82; (4)ACD/LogD (pH 7.4): 9.82; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5219781.5; (8)ACD/KOC (pH 7.4): 5219781.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 116.26 cm3; (15)Molar Volume: 420 cm3; (16)Polarizability: 46.09×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.882 g/cm3; (19)Flash Point: 198.7 °C; (20)Enthalpy of Vaporization: 86.81 kJ/mol; (21)Boiling Point: 487.5 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OCC(O)CCCCCCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-25/h24-26H,2-23H2,1H3
3.InChIKey: PTSXVUICYWATQI-UHFFFAOYAU