ChemSpider 2D Image | 2,4-Dideoxy-2-[(2Z)-2-octen-1-yl]pentaric acid | C13H22O5

2,4-Dideoxy-2-[(2Z)-2-octen-1-yl]pentaric acid

  • Molecular FormulaC13H22O5
  • Average mass258.311 Da
  • Monoisotopic mass258.146729 Da
  • ChemSpider ID29814720

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4-Dideoxy-2-[(2Z)-2-octen-1-yl]pentaric acid [ACD/IUPAC Name]
2,4-Didesoxy-2-[(2Z)-2-octen-1-yl]pentarsäure [German] [ACD/IUPAC Name]
Acide 2,4-didésoxy-2-[(2Z)-2-octén-1-yl]pentarique [French] [ACD/IUPAC Name]
Pentaric acid, 2,4-dideoxy-2-[(2Z)-2-octen-1-yl]- [ACD/Index Name]
3-hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid
Compound NP-018717

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±6.0 kJ/mol
Flash Point: 235.7±25.2 °C
Index of Refraction: 1.509
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site


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