ChemSpider 2D Image | Butyl (2R)-2-ethylhexyl phthalate | C20H30O4

Butyl (2R)-2-ethylhexyl phthalate

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID34984240
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1,2-Benzenedicarboxylic acid, butyl (2R)-2-ethylhexyl ester [ACD/Index Name]
Butyl (2R)-2-ethylhexyl phthalate [ACD/IUPAC Name]
Butyl-(2R)-2-ethylhexyl-phthalat [German] [ACD/IUPAC Name]
Phtalate de butyle et de (2R)-2-éthylhexyle [French] [ACD/IUPAC Name]
201-623-2 [EINECS]
85-69-8 [RN]
Butyl 2-ethylhexyl phthalate [ACD/IUPAC Name]
UNII-40AV6S4MYV

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

Density: 1.0±0.1 g/cm3
Boiling Point: 359.0±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 189.9±8.5 °C
Index of Refraction: 1.493
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33888.64
ACD/KOC (pH 5.5): 60841.00
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33888.64
ACD/KOC (pH 7.4): 60841.00
Polar Surface Area: 53 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 330.7±3.0 cm3

Click to predict properties on the Chemicalize site






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