ChemSpider 2D Image | 1,3-Propanediol | C13H26O4

1,3-Propanediol

  • Molecular FormulaC13H26O4
  • Average mass246.343 Da
  • Monoisotopic mass246.183105 Da
  • ChemSpider ID29368553

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,3-Dihydroxypropyl decanoate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-decanoat [German] [ACD/IUPAC Name]
1,3-Propanediol [ACD/Index Name] [ACD/IUPAC Name]
1-decanoyl-sn-glycerol
Décanoate de (2S)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
Decanoic acid, (2S)-2,3-dihydroxypropyl ester [ACD/Index Name]
Glicerol [Spanish] [INN]
(2S)-2,3-dihydroxypropyl decanoate; (2S)-glyceryl decanoate
[2-hydroxy-1-(hydroxymethyl)ethyl] decanoate
1,2,3-Propanetriol [ACD/Index Name]
More...

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, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 369.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.3±6.0 kJ/mol
Flash Point: 129.6±15.8 °C
Index of Refraction: 1.466
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.55
ACD/KOC (pH 5.5): 1937.18
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.55
ACD/KOC (pH 7.4): 1937.17
Polar Surface Area: 67 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 242.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement