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Search term: ILLKMACMBHTSHP-UHFFFAOYAQ
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Inherent Properties, Identifiers and References
ChemSpider ID: 571172
Empirical Formula: C28H58O15
Molecular Weight: 634.7511
Nominal Mass: 634 Da
Average Mass: 634.7511 Da
Monoisotopic Mass: 634.377571 Da
Systematic Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]eth​oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethox​y]ethoxy]ethanol
SMILES: O(CCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI: InChI=1/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-​23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-3​2-4-2-30/h29-30H,1-28H2
InChIKey: ILLKMACMBHTSHP-UHFFFAOYAQ
Std. InChI: InChI=1S/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21​-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-​32-4-2-30/h29-30H,1-28H2
Std. InChIKey: ILLKMACMBHTSHP-UHFFFAOYSA-N
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Polyethyl​ene glycol

266-688-1 [EINECS/ELINCS]

3,6,9,12,​15,18,21,​24,27,30,​33,36,39-​tridecaox​ahentetra​contane-1​,41-diol

67411-64-7 [RN]

PE3

ACD/LogP: # of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 15 #H bond donors: 2
#Freely Rotating Bonds: 42 Polar Surface Area: 138.45 Å2
Index of Refraction: 1.466 Molar Refractivity: 157.52 cm3
Molar Volume: 568.4 cm3 Polarizability: 62.44 10-24cm3
Surface Tension: 40.6 dyne/cm Density: 1.116 g/cm3
Flash Point: 353.1 °C Enthalpy of Vaporization: 111.22 kJ/mol
Boiling Point: 660.2 °C at 760 mmHg Vapour Pressure: 3.09E-20 mmHg at 25°C