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| CAS No.: | 6790-09-6 |
|---|---|
| Name: | Dodecaethylene glycol |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C24H50O13 |
| Molecular Weight: | 546.653 |
| Synonyms: | 3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-diol;Dodecaethyleneglycol; |
| EINECS: | 229-859-1 |
| Density: | 1.116 g/cm3 |
| Melting Point: | 38oC |
| Boiling Point: | 602 °C at 760 mmHg |
| Flash Point: | 317.9 °C |
| PSA: | 141.99000 |
| LogP: | -0.84640 |
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Specification
The Dodecaethylene glycol, with the cas registry number 6790-09-6 and EINECS registry number 229-859-1, has the systematic name and IUPAC name of 3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diol. It belongs to the following product categories: Ethylene Glycols; Ethylene Glycols & Monofunctional Ethylene Glycols. And the molecular formula of the chemical is C24H50O13.
The characteristics of this chemical are as followings: (1)ACD/LogP: -5.10; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.09; (4)ACD/LogD (pH 7.4): -5.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 36; (12)Polar Surface Area: 119.99 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 135.5 cm3; (15)Molar Volume: 489.6 cm3; (16)Polarizability: 53.71×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 317.9 °C; (20)Enthalpy of Vaporization: 102.77 kJ/mol; (21)Boiling Point: 602 °C at 760 mmHg; (22)Vapour Pressure: 5.27E-17 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(CCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCOCCO
(2)InChI: InChI=1/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2
(3)InChIKey: WRZXKWFJEFFURH-UHFFFAOYAA