ChemSpider 2D Image | (2R,5S)-2-Butyl-5-propylnonyl (4R,5S)-4-butyl-5-propylnonyl adipate | C38H74O4

(2R,5S)-2-Butyl-5-propylnonyl (4R,5S)-4-butyl-5-propylnonyl adipate

  • Molecular FormulaC38H74O4
  • Average mass594.992 Da
  • Monoisotopic mass594.558716 Da
  • ChemSpider ID4678096

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,5S)-2-Butyl-5-propylnonyl (4R,5S)-4-butyl-5-propylnonyl adipate [ACD/IUPAC Name]
(2R,5S)-2-Butyl-5-propylnonyl-(4R,5S)-4-butyl-5-propylnonyladipat [German] [ACD/IUPAC Name]
Adipate de (2R,5S)-2-butyl-5-propylnonyle et de (4R,5S)-4-butyl-5-propylnonyle [French] [ACD/IUPAC Name]
Hexanedioic acid, (2R,5S)-2-butyl-5-propylnonyl (4R,5S)-4-butyl-5-propylnonyl ester [ACD/Index Name]
1-(2R,5S)-2-BUTYL-5-PROPYLNONYL 6-(4R,5S)-4-BUTYL-5-PROPYLNONYL HEXANEDIOATE
71662-49-2 [RN]
Di-(branched C16-28 alkyl) hexanedioate
Hexanedioic acid, di-C16-28-branched alkyl esters

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

Density: 0.9±0.1 g/cm3
Boiling Point: 536.8±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 237.9±19.6 °C
Index of Refraction: 1.459
Molar Refractivity: 181.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 16.24
ACD/LogD (pH 5.5): 13.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 664.3±3.0 cm3

Click to predict properties on the Chemicalize site


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