ChemSpider 2D Image | 2-Hydroxy-1,3-propanediyl bis(3,5,5-trimethylhexanoate) | C21H40O5

2-Hydroxy-1,3-propanediyl bis(3,5,5-trimethylhexanoate)

  • Molecular FormulaC21H40O5
  • Average mass372.539 Da
  • Monoisotopic mass372.287567 Da
  • ChemSpider ID21167680

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Hydroxy-1,3-propandiyl-bis(3,5,5-trimethylhexanoat) [German] [ACD/IUPAC Name]
2-Hydroxy-1,3-propanediyl bis(3,5,5-trimethylhexanoate) [ACD/IUPAC Name]
2-Hydroxypropane-1,3-diyl bis(3,5,5-trimethylhexanoate)
306-921-7 [EINECS]
Bis(3,5,5-triméthylhexanoate) de 2-hydroxy-1,3-propanediyle [French] [ACD/IUPAC Name]
Hexanoic acid, 3,5,5-trimethyl-, 2-hydroxy-1,3-propanediyl ester [ACD/Index Name]
2-HYDROXY-3-[(3,5,5-TRIMETHYLHEXANOYL)OXY]PROPYL 3,5,5-TRIMETHYLHEXANOATE
97467-72-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 442.4±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±6.0 kJ/mol
Flash Point: 136.7±13.1 °C
Index of Refraction: 1.460
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6109.51
ACD/KOC (pH 5.5): 17849.05
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6109.48
ACD/KOC (pH 7.4): 17848.95
Polar Surface Area: 73 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 380.9±3.0 cm3

Click to predict properties on the Chemicalize site


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