ChemSpider 2D Image | MFCD10001682 | C12HD17O

MFCD10001682

  • Molecular FormulaC12HD17O
  • Average mass195.376 Da
  • Monoisotopic mass195.242477 Da
  • ChemSpider ID48063223

  • Non-standard isotope - Non-standard isotope

More details:

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

2,6-Bis[(2H7)-2-propanyl](2H3)phenol [German] [ACD/IUPAC Name]
2,6-Bis[(2H7)-2-propanyl](2H3)phenol [ACD/IUPAC Name]
2,6-Bis[(2H7)-2-propanyl](2H3)phénol [French] [ACD/IUPAC Name]
200-659-6 [EINECS]
MFCD10001682
Phenol-3,4,5-d3, 2,6-bis[1-(methyl-d3)ethyl-1,2,2,2-d4]- [ACD/Index Name]
1261393-54-7 [RN]
3,4,5-trideuterio-2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenol
Propofol-D17missing

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

1189467-93-3; 1261393-54-7 [DBID]
1189467-93-31261393-54-7 [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: 256.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 107.5±7.2 °C
Index of Refraction: 1.513
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 520.42
ACD/KOC (pH 5.5): 3061.74
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 520.29
ACD/KOC (pH 7.4): 3060.99
Polar Surface Area: 20 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 188.0±3.0 cm3

Click to predict properties on the Chemicalize site


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