Propyl 2,2-Di(Hydroxymethyl)Propionate

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Properties Simple | Detailed

Formula C8H16O4
IUPAC Name propyl 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoate
Molecular Mass 176.210 g·mol−1
Heat of Formation -844.3 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 229.05 Å 3
Surface Area 213.27 Å 2
HOMO Energy -10.78 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid propyl ester
  • 3-hydroxy-2-methyl-2-methylol-propionic acid propyl ester
  • propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester
CAS Number(s)
  • 63468-00-8
InChIKey WKKSVSCQYZLNJY-UHFFFAOYSA-N
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Elements H C O