ChemSpider 2D Image | BIS(3-CARBOXYPROPYL) ESTER PROPANEDIOIC ACID | C11H16O8

BIS(3-CARBOXYPROPYL) ESTER PROPANEDIOIC ACID

  • Molecular FormulaC11H16O8
  • Average mass276.240 Da
  • Monoisotopic mass276.084503 Da
  • ChemSpider ID21112310

More details:

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

207444-67-5 [RN]
4,4'-[(1,3-Dioxo-1,3-propandiyl)bis(oxy)]dibutansäure [German] [ACD/IUPAC Name]
4,4'-[(1,3-Dioxo-1,3-propanediyl)bis(oxy)]dibutanoic acid [ACD/IUPAC Name]
4,4'-[(1,3-Dioxopropane-1,3-diyl)bis(oxy)]dibutanoic acid
Acide 4,4'-[(1,3-dioxo-1,3-propanediyl)bis(oxy)]dibutanoïque [French] [ACD/IUPAC Name]
BIS(3-CARBOXYPROPYL) ESTER PROPANEDIOIC ACID
Propanedioic acid, bis(3-carboxypropyl) ester [ACD/Index Name]
4-{[3-(3-CARBOXYPROPOXY)-3-OXOPROPANOYL]OXY}BUTANOIC ACID
BIS(3-CARBOXYPROPYL)ESTERPROPANEDIOICACID
MFCD04972521 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 499.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 191.0±19.4 °C
Index of Refraction: 1.490
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 206.3±3.0 cm3

Click to predict properties on the Chemicalize site


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