ChemSpider 2D Image | (4S)-4-Methyl-1-hexyne | C7H12

(4S)-4-Methyl-1-hexyne

  • Molecular FormulaC7H12
  • Average mass96.170 Da
  • Monoisotopic mass96.093903 Da
  • ChemSpider ID103882952

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Methyl-1-hexin [German] [ACD/IUPAC Name]
(4S)-4-Methyl-1-hexyne [ACD/IUPAC Name]
(4S)-4-Méthyl-1-hexyne [French] [ACD/IUPAC Name]
1-Hexyne, 4-methyl-, (4S)- [ACD/Index Name]
2695-49-0 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 88.7±8.0 °C at 760 mmHg
Vapour Pressure: 68.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.5±0.8 kJ/mol
Flash Point: -9.0±2.8 °C
Index of Refraction: 1.417
Molar Refractivity: 32.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.70
ACD/KOC (pH 5.5): 536.77
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.70
ACD/KOC (pH 7.4): 536.77
Polar Surface Area: 0 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 25.1±3.0 dyne/cm
Molar Volume: 128.2±3.0 cm3

Click to predict properties on the Chemicalize site


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