ChemSpider 2D Image | Dimethyl (2Z)-2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-2-butenedioate | C26H27ClO4

Dimethyl (2Z)-2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-2-butenedioate

  • Molecular FormulaC26H27ClO4
  • Average mass438.943 Da
  • Monoisotopic mass438.159790 Da
  • ChemSpider ID30660310

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[(1Z,3Z)-4-Chloro-3-éthyl-1,2-diphényl-1,3-hexadién-1-yl]-2-butènedioate de diméthyle [French] [ACD/IUPAC Name]
2-Butenedioic acid, 2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-, dimethyl ester, (2Z)- [ACD/Index Name]
Dimethyl (2Z)-2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-2-butenedioate [ACD/IUPAC Name]
Dimethyl-(2Z)-2-[(1Z,3Z)-4-chlor-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-2-butendioat [German] [ACD/IUPAC 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: 534.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 167.0±29.1 °C
Index of Refraction: 1.565
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 62801.40
ACD/KOC (pH 5.5): 94616.62
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 62801.40
ACD/KOC (pH 7.4): 94616.62
Polar Surface Area: 53 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 382.4±3.0 cm3

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