ChemSpider 2D Image | trans-2,2,4,4-Tetramethyl-1,3-cyclobutanediol | C8H16O2

trans-2,2,4,4-Tetramethyl-1,3-cyclobutanediol

  • Molecular FormulaC8H16O2
  • Average mass144.211 Da
  • Monoisotopic mass144.115036 Da
  • ChemSpider ID32701281

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, trans- [ACD/Index Name]
2694-23-7 [RN]
trans-2,2,4,4-Tetramethyl-1,3-cyclobutandiol [German] [ACD/IUPAC Name]
trans-2,2,4,4-Tetramethyl-1,3-cyclobutanediol [ACD/IUPAC Name]
trans-2,2,4,4-Tétraméthyl-1,3-cyclobutanediol [French] [ACD/IUPAC Name]
(1r,3r)-2,2,4,4-tetramethylcyclobutane-1,3-diol
2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL, TRANS-
2,2,4,4-tetramethylcyclobutane-1,3-diol
2,2,4,4-Tetramethylcyclobutane-1,3-diol, trans
221-140-0 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

V7WK40I307 [DBID]
UNII:V7WK40I307 [DBID]
UNII-V7WK40I307 [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: 220.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.1±6.0 kJ/mol
Flash Point: 96.8±13.0 °C
Index of Refraction: 1.480
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 121.50
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 121.50
Polar Surface Area: 40 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 141.8±3.0 cm3

Click to predict properties on the Chemicalize site


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