ChemSpider 2D Image | 3-Methylbutyl pentyl phthalate | C18H26O4

3-Methylbutyl pentyl phthalate

  • Molecular FormulaC18H26O4
  • Average mass306.397 Da
  • Monoisotopic mass306.183105 Da
  • ChemSpider ID28605159

More details:

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

1-(3-Methylbutyl) 2-pentyl 1,2-benzenedicarboxylate
1,2-Benzenedicarboxylic acid, 3-methylbutyl pentyl ester [ACD/Index Name]
30404442 [Beilstein]
3-Methylbutyl pentyl phthalate [ACD/IUPAC Name]
3-Methylbutyl-pentyl-phthalat [German] [ACD/IUPAC Name]
4VOR BVO2Y1&1 [WLN]
776297-69-9 [RN]
iso-Pentyl pentyl phthalate
Phtalate de 3-méthylbutyle et de pentyle [French] [ACD/IUPAC Name]
[776297-69-9] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 337.5±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 177.7±8.5 °C
Index of Refraction: 1.495
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7686.21
ACD/KOC (pH 5.5): 21037.00
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7686.21
ACD/KOC (pH 7.4): 21037.00
Polar Surface Area: 53 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

Click to predict properties on the Chemicalize site


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