Chemical Properties of 5-methylhexanoic acid (CAS 628-46-6)

5-methylhexanoic acid

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InChI
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChI Key
MHPUGCYGQWGLJL-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CC(C)CCCC(=O)O
Molecular Weight1
130.18
CAS
628-46-6
Other Names
  • Hexanoic acid, 5-methyl-
Sources

Physical Properties

Property Value Unit Source
Δf -260.12 kJ/mol Joback Calculated Property
Δfgas -457.90 kJ/mol Joback Calculated Property
Δfus 16.05 kJ/mol Joback Calculated Property
Δvap 54.21 kJ/mol Joback Calculated Property
logPoct/wat 1.90 Crippen Calculated Property
Pc 3352.86 kPa Joback Calculated Property
Tboil 486.00 ± 6.00 K NIST
Tc 678.63 K Joback Calculated Property
Tfus 264.40 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.80 J/mol×K 505.17 Joback Calculated Property
η 0.00 Pa×s 505.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 3
>C=O (nonring) 1
-OH (alcohol) 1
-CH3 2

Similar Compounds

Lithium n-hexanoate. Thallium hexanoate. Zinc(II) n-hexanoate. Barium caproate. Hexanoic acid. lead dihexanoate. 15-methylhexadecanoic acid. 13-methyltetradecanoic acid. 14-methylpentadecanoic acid. 12-methyltridecanoic acid. Isoundecanoic acid. 11-methyldodecanoic acid. isopentadecanoic acid. Heptanedioic acid. Heptanoic acid.

Find more compounds similar to 5-methylhexanoic acid.

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