ChemSpider 2D Image | 2,6-Dimethyl-4-heptanyl methanesulfonate | C10H22O3S

2,6-Dimethyl-4-heptanyl methanesulfonate

  • Molecular FormulaC10H22O3S
  • Average mass222.345 Da
  • Monoisotopic mass222.128967 Da
  • ChemSpider ID51449947

More details:

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

2,6-Dimethyl-4-heptanyl methanesulfonate [ACD/IUPAC Name]
2,6-Dimethyl-4-heptanyl-methansulfonat [German] [ACD/IUPAC Name]
4-Heptanol, 2,6-dimethyl-, methanesulfonate [ACD/Index Name]
Méthanesulfonate de 2,6-diméthyl-4-heptanyle [French] [ACD/IUPAC Name]
103890-72-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 308.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 140.2±19.3 °C
Index of Refraction: 1.443
Molar Refractivity: 58.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.12
ACD/KOC (pH 5.5): 974.37
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.12
ACD/KOC (pH 7.4): 974.37
Polar Surface Area: 52 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 222.1±3.0 cm3

Click to predict properties on the Chemicalize site


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