ChemSpider 2D Image | (1R,2S)-1-Chloro-2-[(3E)-4-chloro-3-buten-1-yn-1-yl]cyclopropane | C7H6Cl2

(1R,2S)-1-Chloro-2-[(3E)-4-chloro-3-buten-1-yn-1-yl]cyclopropane

  • Molecular FormulaC7H6Cl2
  • Average mass161.029 Da
  • Monoisotopic mass159.984650 Da
  • ChemSpider ID24204409

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-1-Chlor-2-[(3E)-4-chlor-3-buten-1-in-1-yl]cyclopropan [German] [ACD/IUPAC Name]
(1R,2S)-1-Chloro-2-[(3E)-4-chloro-3-buten-1-yn-1-yl]cyclopropane [ACD/IUPAC Name]
(1R,2S)-1-Chloro-2-[(3E)-4-chloro-3-butén-1-yn-1-yl]cyclopropane [French] [ACD/IUPAC Name]
Cyclopropane, 1-chloro-2-[(3E)-4-chloro-3-buten-1-yn-1-yl]-, (1R,2S)- [ACD/Index Name]
(1R,2S)-1-chloro-2-((E)-4-chlorobut-3-en-1-yn-1-yl)cyclopropane
316377-63-6 [RN]
Cyclopropane, 1-chloro-2-[(3E)-4-chloro-3-buten-1-ynyl]-, (1R,2S)- (9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 217.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.5±3.0 kJ/mol
Flash Point: 90.3±20.9 °C
Index of Refraction: 1.544
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.40
ACD/KOC (pH 5.5): 559.29
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.40
ACD/KOC (pH 7.4): 559.29
Polar Surface Area: 0 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 126.6±5.0 cm3

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