ChemSpider 2D Image | Dimethyl 3,3'-[8-(2,2-difluorovinyl)-3,7,12,17-tetramethyl-13-vinyl-2,18-porphyrindiyl]dipropanoate | C36H36F2N4O4

Dimethyl 3,3'-[8-(2,2-difluorovinyl)-3,7,12,17-tetramethyl-13-vinyl-2,18-porphyrindiyl]dipropanoate

  • Molecular FormulaC36H36F2N4O4
  • Average mass626.692 Da
  • Monoisotopic mass626.270447 Da
  • ChemSpider ID2339251
  • Double-bond stereo - Double-bond stereo

More details:

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

21H,22H-Porphine-13,17-dipropanoic acid, 3-(2,2-difluoroethenyl)-8-ethenyl-2,7,12,18-tetramethyl-, dimethyl ester [ACD/Index Name]
3,3'-[8-(2,2-Difluorovinyl)-3,7,12,17-tétraméthyl-13-vinyl-2,18-porphyrinediyl]dipropanoate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-[8-(2,2-difluorovinyl)-3,7,12,17-tetramethyl-13-vinyl-2,18-porphyrindiyl]dipropanoate [ACD/IUPAC Name]
Dimethyl-3,3'-[8-(2,2-difluorvinyl)-3,7,12,17-tetramethyl-13-vinyl-2,18-porphyrindiyl]dipropanoat [German] [ACD/IUPAC Name]
123386-99-2 [RN]
21H,23H-Prophine-2,18-dipropanoic acid, 8-(2,2-difluoroethenyl)-13-ethenyl-3,7,12,17-tetramethyl-, dimethyl ester
3(2),3(2)-Difluoroprotoporphyrin dimethyl ester
Dimethyl 8-(2,2-difluoroethenyl)-13-ethenyl-3,7,12,17-tetramethyl-21H,23H-prophine-2,18-dipropanoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1018.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.9±3.0 kJ/mol
Flash Point: 569.5±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 172.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.33
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 110 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 503.0±3.0 cm3

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