Chemical Properties of Hexanoic acid, anhydride (CAS 2051-49-2)

Hexanoic acid, anhydride

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InChI
InChI=1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3
InChI Key
PKHMTIRCAFTBDS-UHFFFAOYSA-N
Formula
C12H22O3
SMILES
CCCCCC(=O)OC(=O)CCCCC
Molecular Weight1
214.30
CAS
2051-49-2
Other Names
  • Caproic acid anhydride
  • Caproic anhydride
  • Capronic acid anhydride
  • Capronic anhydride
  • Hexanoic acid, 1,1'-anhydride
  • Hexanoic anhydride
  • Hexanoyl anhydride
  • n-Caproic anhydride
  • n-Hexanoic acid anhydride
  • n-Hexanoic anhydride
Sources

Physical Properties

Property Value Unit Source
Δf -312.68 kJ/mol Joback Calculated Property
Δfgas -648.39 kJ/mol Joback Calculated Property
Δfus 31.22 kJ/mol Joback Calculated Property
Δvap 58.21 kJ/mol Joback Calculated Property
logPoct/wat 3.22 Crippen Calculated Property
Pc 1956.14 kPa Joback Calculated Property
Tboil 520.20 K NIST
Tboil 512.15 ± 2.00 K NIST
Tc 781.95 K Joback Calculated Property
Tfus 347.09 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 488.75 J/mol×K 604.12 Joback Calculated Property
η 0.00 Pa×s 604.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 8
-CH3 2
>C=O (nonring) 2

Similar Compounds

Heptanoic acid, anhydride. Lauric anhydride. Decanoic anhydride. Caprylic anhydride. Valeric anhydride. Hexanoic acid, hexyl ester. Hexanoic acid, pentyl ester. Hexanoic acid, butyl ester. N-heptyl hexanoate. Hexyl n-valerate. tetracosyl hexanoate. Eicosyl hexanoate. hexacosyl hexanoate. pentacosyl hexanoate. docosyl hexanoate.

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