ChemSpider 2D Image | (2S,4S)-2-Butyl-4-methyl-1,3-dioxolane | C8H16O2

(2S,4S)-2-Butyl-4-methyl-1,3-dioxolane

  • Molecular FormulaC8H16O2
  • Average mass144.211 Da
  • Monoisotopic mass144.115036 Da
  • ChemSpider ID34991638

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-2-Butyl-4-methyl-1,3-dioxolan [German] [ACD/IUPAC Name]
(2S,4S)-2-Butyl-4-methyl-1,3-dioxolane [ACD/IUPAC Name]
(2S,4S)-2-Butyl-4-méthyl-1,3-dioxolane [French] [ACD/IUPAC Name]
1,3-Dioxolane, 2-butyl-4-methyl-, (2S,4S)- [ACD/Index Name]
26551-19-9 [RN]
277-710-4 [EINECS]
74094-60-3 [RN]
UNII-N5U0ZL00CI
VALERALDEHYDE PROPYLENEGLYCOL ACETAL
VALERALDEHYDE PROPYLENEGLYCOL ACETAL, TRANS-

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

UNII-JDI06L4Q21 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 166.7±8.0 °C at 760 mmHg
Vapour Pressure: 2.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.7±3.0 kJ/mol
Flash Point: 53.0±12.3 °C
Index of Refraction: 1.414
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.38
ACD/KOC (pH 5.5): 185.77
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.38
ACD/KOC (pH 7.4): 185.77
Polar Surface Area: 18 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 28.3±3.0 dyne/cm
Molar Volume: 161.4±3.0 cm3

Click to predict properties on the Chemicalize site


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