ChemSpider 2D Image | (3Z,4S,5S)-3-(1-Chlorobutylidene)-4-(chloromethyl)-5-pentyldihydro-2(3H)-furanone | C14H22Cl2O2

(3Z,4S,5S)-3-(1-Chlorobutylidene)-4-(chloromethyl)-5-pentyldihydro-2(3H)-furanone

  • Molecular FormulaC14H22Cl2O2
  • Average mass293.229 Da
  • Monoisotopic mass292.099670 Da
  • ChemSpider ID73973951

  • 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

(3Z,4S,5S)-3-(1-Chlorbutyliden)-4-(chlormethyl)-5-pentyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3Z,4S,5S)-3-(1-Chlorobutylidene)-4-(chloromethyl)-5-pentyldihydro-2(3H)-furanone [ACD/IUPAC Name]
(3Z,4S,5S)-3-(1-Chlorobutylidène)-4-(chlorométhyl)-5-pentyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 3-(1-chlorobutylidene)-4-(chloromethyl)dihydro-5-pentyl-, (3Z,4S,5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 399.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 149.0±22.7 °C
Index of Refraction: 1.483
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5668.74
ACD/KOC (pH 5.5): 16917.56
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5668.74
ACD/KOC (pH 7.4): 16917.56
Polar Surface Area: 26 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 265.6±3.0 cm3

Click to predict properties on the Chemicalize site


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