ChemSpider 2D Image | (4S)-2,2,4-Trimethylhexane | C9H20

(4S)-2,2,4-Trimethylhexane

  • Molecular FormulaC9H20
  • Average mass128.255 Da
  • Monoisotopic mass128.156494 Da
  • ChemSpider ID21428734

More details:

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

(4S)-2,2,4-Trimethylhexane
(S)-2,2,4-trimethylhexane
2,2,4-Trimethylhexan [German] [ACD/IUPAC Name]
2,2,4-Trimethylhexane [ACD/IUPAC Name]
2,2,4-Triméthylhexane [French] [ACD/IUPAC Name]
618380-26-0 [RN]
Hexane, 2,2,4-trimethyl- [ACD/Index Name]
16747-26-5 [RN]
2,2,4-TRIMETHYLHEXANE, (S)-
UNII:CMT6E6S05E

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

CMT6E6S05E [DBID]

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

Density: 0.7±0.1 g/cm3
Boiling Point: 125.5±7.0 °C at 760 mmHg
Vapour Pressure: 14.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 34.8±0.8 kJ/mol
Flash Point: 20.9±11.7 °C
Index of Refraction: 1.407
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 636.54
ACD/KOC (pH 5.5): 3536.57
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 636.54
ACD/KOC (pH 7.4): 3536.57
Polar Surface Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 177.5±3.0 cm3

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