ChemSpider 2D Image | (13Z,13'Z)-1,1'-(1,4-Phenylene)bis(1,12-dioxo-2,5,8,11-tetraoxapentadec-13-en-15-oic acid) | C28H34O16

(13Z,13'Z)-1,1'-(1,4-Phenylene)bis(1,12-dioxo-2,5,8,11-tetraoxapentadec-13-en-15-oic acid)

  • Molecular FormulaC28H34O16
  • Average mass626.560 Da
  • Monoisotopic mass626.184692 Da
  • ChemSpider ID9961606

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z,13'Z)-1,1'-(1,4-Phenylen)bis(1,12-dioxo-2,5,8,11-tetraoxapentadec-13-en-15-säure) [German] [ACD/IUPAC Name]
(13Z,13'Z)-1,1'-(1,4-Phenylene)bis(1,12-dioxo-2,5,8,11-tetraoxapentadec-13-en-15-oic acid) [ACD/IUPAC Name]
1,4-Benzenedicarboxylic acid, bis[2-[2-[2-[[(2Z)-3-carboxy-1-oxo-2-propen-1-yl]oxy]ethoxy]ethoxy]ethyl] ester [ACD/Index Name]
Acide (13Z,13'Z)-1,1'-(1,4-phénylène)bis(1,12-dioxo-2,5,8,11-tétraoxapentadéc-13-én-15-oïque) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 241.8±26.4 °C
Index of Refraction: 1.536
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -3.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 471.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement