(2S,4S)-2,4-Pentanediol

Molecule SVG Image

Properties Simple | Detailed

Formula C5H12O2
IUPAC Name (2s,4s)-pentane-2,4-diol
Molecular Mass 104.148 g·mol−1
Heat of Formation -499.8 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 146.69 Å 3
Surface Area 153.41 Å 2
HOMO Energy -10.49 ± 0.55 eV
LUMO Energy 6.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s)-()-pentanediol
  • (s,s)-()-2,4-pentanediol
  • [s-(s*,s*)]-()-2,4-pentanediol
InChIKey GTCCGKPBSJZVRZ-WHFBIAKZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O