ChemSpider 2D Image | (2E)-4-Oxo-4-(tridecyloxy)-2-butenoic acid | C17H30O4

(2E)-4-Oxo-4-(tridecyloxy)-2-butenoic acid

  • Molecular FormulaC17H30O4
  • Average mass298.418 Da
  • Monoisotopic mass298.214417 Da
  • ChemSpider ID34998614

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-Oxo-4-(tridecyloxy)-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-Oxo-4-(tridecyloxy)-2-butensäure [German] [ACD/IUPAC Name]
2-Butenedioic acid, monotridecyl ester, (2E)- [ACD/Index Name]
Acide (2E)-4-oxo-4-(tridécyloxy)-2-buténoïque [French] [ACD/IUPAC Name]
4-Oxo-4-(tridecyloxy)but-2-enoic acid
93762-26-6 [RN]
tridecyl hydrogen 2-butenedioate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 418.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±6.0 kJ/mol
Flash Point: 140.4±17.5 °C
Index of Refraction: 1.472
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 124.00
ACD/KOC (pH 5.5): 268.29
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 10.08
Polar Surface Area: 64 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 300.9±3.0 cm3

Click to predict properties on the Chemicalize site


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