ChemSpider 2D Image | (3R)-3,4-Dimethyl-1-pentyne | C7H12

(3R)-3,4-Dimethyl-1-pentyne

  • Molecular FormulaC7H12
  • Average mass96.170 Da
  • Monoisotopic mass96.093903 Da
  • ChemSpider ID73978202

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3,4-Dimethyl-1-pentin [German] [ACD/IUPAC Name]
(3R)-3,4-Dimethyl-1-pentyne [ACD/IUPAC Name]
(3R)-3,4-Diméthyl-1-pentyne [French] [ACD/IUPAC Name]
1-Pentyne, 3,4-dimethyl-, (3R)- [ACD/Index Name]

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

Density: 0.7±0.1 g/cm3
Boiling Point: 77.3±8.0 °C at 760 mmHg
Vapour Pressure: 107.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.5±0.8 kJ/mol
Flash Point: -16.8±2.8 °C
Index of Refraction: 1.415
Molar Refractivity: 32.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.43
ACD/KOC (pH 5.5): 738.99
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.43
ACD/KOC (pH 7.4): 738.99
Polar Surface Area: 0 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 23.9±3.0 dyne/cm
Molar Volume: 128.6±3.0 cm3

Click to predict properties on the Chemicalize site


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