ChemSpider 2D Image | 12-(4-Nitrophenoxy)dodecanoic acid | C18H27NO5

12-(4-Nitrophenoxy)dodecanoic acid

  • Molecular FormulaC18H27NO5
  • Average mass337.411 Da
  • Monoisotopic mass337.188934 Da
  • ChemSpider ID30914455

More details:






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

12-(4-Nitrophenoxy)dodecanoic acid [ACD/IUPAC Name]
12-(4-Nitrophenoxy)dodecansäure [German] [ACD/IUPAC Name]
Acide 12-(4-nitrophénoxy)dodécanoïque [French] [ACD/IUPAC Name]
Dodecanoic acid, 12-(4-nitrophenoxy)- [ACD/Index Name]
[N+](=O)([O-])C1=CC=C(OCCCCCCCCCCCC(=O)O)C=C1
12-(4-NITROPHENOXY)DODECANOICACID
12-(para-nitrophenoxy)dodecanoic acid
12-p-nitrophenoxydodecanoic acid
230613-81-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 509.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.8±21.8 °C
Index of Refraction: 1.522
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1204.52
ACD/KOC (pH 5.5): 3315.32
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 19.32
ACD/KOC (pH 7.4): 53.18
Polar Surface Area: 92 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 301.5±3.0 cm3

Click to predict properties on the Chemicalize site






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