ChemSpider 2D Image | 2-Methyl-1-phenylpropan-2-yl hexanoate | C16H24O2

2-Methyl-1-phenylpropan-2-yl hexanoate

  • Molecular FormulaC16H24O2
  • Average mass248.361 Da
  • Monoisotopic mass248.177628 Da
  • ChemSpider ID30776940

More details:

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

1,1-Dimethyl-2-phenylethyl hexanoate
22711046 [Beilstein]
2-Methyl-1-phenyl-2-propanyl-hexanoat [German] [ACD/IUPAC Name]
2-Methyl-1-phenylpropan-2-yl hexanoate [ACD/IUPAC Name]
5VOX1&1&1R [WLN]
891781-90-1 [RN]
Hexanoate de 2-méthyl-1-phényl-2-propanyle [French] [ACD/IUPAC Name]
Hexanoic acid, 1,1-dimethyl-2-phenylethyl ester [ACD/Index Name]
Dimethylbenzyl carbinyl hexanoate

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

DQA6X1461S [DBID]
UNII:DQA6X1461S [DBID]
UNII-DQA6X1461S [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 327.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 108.2±17.6 °C
Index of Refraction: 1.490
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5847.14
ACD/KOC (pH 5.5): 17296.96
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5847.14
ACD/KOC (pH 7.4): 17296.96
Polar Surface Area: 26 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 257.8±3.0 cm3

Click to predict properties on the Chemicalize site


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