ChemSpider 2D Image | 2-Isopropylheptanoate | C10H19O2

2-Isopropylheptanoate

  • Molecular FormulaC10H19O2
  • Average mass171.257 Da
  • Monoisotopic mass171.139053 Da
  • ChemSpider ID95788056
  • Charge - Charge


More details:






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

2-Isopropylheptanoat [German] [ACD/IUPAC Name]
2-Isopropylheptanoate [ACD/IUPAC Name]
2-Isopropylheptanoate [French] [ACD/IUPAC Name]
Heptanoic acid, 2-(1-methylethyl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 268.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 123.2±9.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 36.79
ACD/KOC (pH 5.5): 267.45
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.26
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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