ChemSpider 2D Image | (9E,12E)-12-Nitro-9,12-octadecadienoic acid | C18H31NO4

(9E,12E)-12-Nitro-9,12-octadecadienoic acid

  • Molecular FormulaC18H31NO4
  • Average mass325.443 Da
  • Monoisotopic mass325.225311 Da
  • ChemSpider ID57494356

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,12E)-12-Nitro-9,12-octadecadienoic acid [ACD/IUPAC Name]
(9E,12E)-12-Nitro-9,12-octadecadiensäure [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 12-nitro-, (9E,12E)- [ACD/Index Name]
Acide (9E,12E)-12-nitro-9,12-octadécadiénoïque [French] [ACD/IUPAC Name]
12-NITROOCTADECA-9,12-DIENOIC ACID

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

Density: 1.0±0.1 g/cm3
Boiling Point: 452.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 173.9±13.8 °C
Index of Refraction: 1.493
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 3711.77
ACD/KOC (pH 5.5): 7409.51
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 59.51
ACD/KOC (pH 7.4): 118.80
Polar Surface Area: 83 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 320.1±3.0 cm3

Click to predict properties on the Chemicalize site


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