ChemSpider 2D Image | (1E,3R)-1-Chloro-3-ethyl-1-penten-4-yn-3-ol | C7H9ClO

(1E,3R)-1-Chloro-3-ethyl-1-penten-4-yn-3-ol

  • Molecular FormulaC7H9ClO
  • Average mass144.599 Da
  • Monoisotopic mass144.034195 Da
  • ChemSpider ID34986338

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1E,3R)-1-Chlor-3-ethyl-1-penten-4-in-3-ol [German] [ACD/IUPAC Name]
(1E,3R)-1-Chloro-3-ethyl-1-penten-4-yn-3-ol [ACD/IUPAC Name]
(1E,3R)-1-Chloro-3-éthyl-1-pentén-4-yn-3-ol [French] [ACD/IUPAC Name]
1-Penten-4-yn-3-ol, 1-chloro-3-ethyl-, (1E,3R)- [ACD/Index Name]
113-18-8 [RN]
Ethchlorvynol [Wiki]
UNII-6EIM3851UZ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 173.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.7±6.0 kJ/mol
Flash Point: 68.4±24.6 °C
Index of Refraction: 1.506
Molar Refractivity: 38.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.17
ACD/KOC (pH 5.5): 288.24
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.17
ACD/KOC (pH 7.4): 288.23
Polar Surface Area: 20 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 130.4±3.0 cm3

Click to predict properties on the Chemicalize site


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