ChemSpider 2D Image | (3S)-1,1,3,4-Butanetetrol | C4H10O4

(3S)-1,1,3,4-Butanetetrol

  • Molecular FormulaC4H10O4
  • Average mass122.120 Da
  • Monoisotopic mass122.057907 Da
  • ChemSpider ID61505676

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1,1,3,4-Butanetetrol [ACD/IUPAC Name]
(3S)-1,1,3,4-Butanetétrol [French] [ACD/IUPAC Name]
(3S)-1,1,3,4-Butantetrol [German] [ACD/IUPAC Name]
1,1,3,4-Butanetetrol, (3S)- [ACD/Index Name]
134864-46-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 389.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 208.7±21.1 °C
Index of Refraction: 1.537
Molar Refractivity: 26.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.89
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 81 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 85.3±3.0 cm3

Click to predict properties on the Chemicalize site


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