ChemSpider 2D Image | 1,3-Propanediol | C11H22O4

1,3-Propanediol

  • Molecular FormulaC11H22O4
  • Average mass218.290 Da
  • Monoisotopic mass218.151810 Da
  • ChemSpider ID26328369
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2,3-Dihydroxypropyl octanoate [ACD/IUPAC Name]
(2R)-2,3-Dihydroxypropyl-octanoat [German] [ACD/IUPAC Name]
1,3-Propanediol [ACD/Index Name] [ACD/IUPAC Name]
3-octanoyl-sn-glycerol
Glicerol [Spanish] [INN]
Octanoate de (2R)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
Octanoic acid, (2R)-2,3-dihydroxypropyl ester [ACD/Index Name]
(2R)-1-O-octanoylglycerol
(C10-C12) Fatty acids, glycerol ester
[(2S)-2,3-dihydroxypropyl] octanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

15523_RIEDEL [DBID]
15524_RIEDEL [DBID]
191612_ALDRICH [DBID]
33224_RIEDEL [DBID]
44892U_SUPELCO [DBID]
49767_FLUKA [DBID]
49770_FLUKA [DBID]
49771_FLUKA [DBID]
49781_FLUKA [DBID]
49782_FLUKA [DBID]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 340.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 123.4±15.8 °C
Index of Refraction: 1.465
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.61
ACD/KOC (pH 5.5): 412.33
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.61
ACD/KOC (pH 7.4): 412.33
Polar Surface Area: 67 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 209.0±3.0 cm3

Click to predict properties on the Chemicalize site






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