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Search term: PSVODCVMDBUUJZ-HXUWFJFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-2,3-Bis(hexyloxy)propyl hydrogen pentylphosphonate | C20H43O5P

(2R)-2,3-Bis(hexyloxy)propyl hydrogen pentylphosphonate

  • Molecular FormulaC20H43O5P
  • Average mass394.526 Da
  • Monoisotopic mass394.284821 Da
  • ChemSpider ID59053676

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,3-Bis(hexyloxy)propyl hydrogen (S)-pentylphosphonate [ACD/IUPAC Name]
(2R)-2,3-Bis(hexyloxy)propyl hydrogen pentylphosphonate [ACD/IUPAC Name]
(2R)-2,3-Bis(hexyloxy)propyl-hydrogen(S)-pentylphosphonat [German] [ACD/IUPAC Name]
(2R)-2,3-Bis(hexyloxy)propyl-hydrogenpentylphosphonat [German] [ACD/IUPAC Name]
Hydrogéno(S)-pentylphosphonate de (2R)-2,3-bis(hexyloxy)propyle [French] [ACD/IUPAC Name]
Hydrogénopentylphosphonate de (2R)-2,3-bis(hexyloxy)propyle [French] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S)-pentyl]-, mono[(2R)-2,3-bis(hexyloxy)propyl] ester, (S)- [ACD/Index Name]
Phosphonic acid, P-pentyl-, mono[(2R)-2,3-bis(hexyloxy)propyl] ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 484.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 247.0±31.5 °C
Index of Refraction: 1.454
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 23.24
ACD/KOC (pH 5.5): 58.07
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 8.99
Polar Surface Area: 75 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 399.8±3.0 cm3

Click to predict properties on the Chemicalize site


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