ChemSpider 2D Image | 2-[(2S)-3-(Hexyloxy)-2-hydroxypropoxy]benzoic acid | C16H24O5

2-[(2S)-3-(Hexyloxy)-2-hydroxypropoxy]benzoic acid

  • Molecular FormulaC16H24O5
  • Average mass296.359 Da
  • Monoisotopic mass296.162384 Da
  • ChemSpider ID34993995

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(2S)-3-(Hexyloxy)-2-hydroxypropoxy]benzoesäure [German] [ACD/IUPAC Name]
2-[(2S)-3-(Hexyloxy)-2-hydroxypropoxy]benzoic acid [ACD/IUPAC Name]
Acide 2-[(2S)-3-(hexyloxy)-2-hydroxypropoxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(2S)-3-(hexyloxy)-2-hydroxypropoxy]- [ACD/Index Name]
26281-69-6 [RN]
Exiproben [INN]
UNII-SID40G6U6D

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

6509HRR2M7 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 168.3±18.1 °C
Index of Refraction: 1.523
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 16.89
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 76 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 262.3±3.0 cm3

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