ChemSpider 2D Image | MFCD00236062 | C22H42O4

MFCD00236062

  • Molecular FormulaC22H42O4
  • Average mass370.566 Da
  • Monoisotopic mass370.308319 Da
  • ChemSpider ID10633211

More details:






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

1-HEPTYL 6-NONYL HEXANEDIOATE
Adipate d'heptyle et de nonyle [French] [ACD/IUPAC Name]
Heptyl nonyl adipate [ACD/IUPAC Name]
Heptyl-nonyladipat [German] [ACD/IUPAC Name]
Hexanedioic acid, heptyl nonyl ester [ACD/Index Name]
MFCD00236062
68515-75-3 [RN]
86248-24-0 [RN]
Adipic acid heptylnonyl ester
Adipic acid, heptyl nonyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 398.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 178.6±17.4 °C
Index of Refraction: 1.452
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 935988.63
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 935988.63
Polar Surface Area: 53 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 398.6±3.0 cm3

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