(2E)-3-Methyl-2-hexenoic acid C7H12O2 structure

C7H12O2 structure
Molecular Formula C7H12O2
Average mass 128.169 Da
Density 1.0±0.1 g/cm3
Boiling Point 225.2±9.0 °C at 760 mmHg
Flash Point 132.0±9.6 °C
Molar Refractivity 35.9±0.3 cm3
Polarizability 14.2±0.5 10-24cm3
Surface Tension 32.7±3.0 dyne/cm
Molar Volume 132.1±3.0 cm3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 225.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.9±6.0 kJ/mol
Flash Point: 132.0±9.6 °C
Index of Refraction: 1.456
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 6.09
ACD/KOC (pH 5.5): 93.01
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 37 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 132.1±3.0 cm3

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