ChemSpider 2D Image | 3-Methoxy-1-nonen-4-yl 2-bromo-6-methylbenzoate | C18H25BrO3

3-Methoxy-1-nonen-4-yl 2-bromo-6-methylbenzoate

  • Molecular FormulaC18H25BrO3
  • Average mass369.293 Da
  • Monoisotopic mass368.098694 Da
  • ChemSpider ID26996583

More details:

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

2-Bromo-6-méthylbenzoate de 3-méthoxy-1-nonén-4-yle [French] [ACD/IUPAC Name]
3-Methoxy-1-nonen-4-yl 2-bromo-6-methylbenzoate [ACD/IUPAC Name]
3-Methoxy-1-nonen-4-yl-2-brom-6-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-6-methyl-, 1-(1-methoxy-2-propen-1-yl)hexyl ester [ACD/Index Name]
2-Bromo-6-methylbenzoic acid (S*)-1-[(R*)-1-methoxy-allyl]hexyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 196.0±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15730.78
ACD/KOC (pH 5.5): 35125.41
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15730.78
ACD/KOC (pH 7.4): 35125.41
Polar Surface Area: 36 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site


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