Chemical Properties of 3-Pentenoic acid, 4-methyl- (CAS 504-85-8)

3-Pentenoic acid, 4-methyl-

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InChI
InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)
InChI Key
CQJHAULYLJXJNL-UHFFFAOYSA-N
Formula
C6H10O2
SMILES
CC(C)=CCC(=O)O
Molecular Weight1
114.14
CAS
504-85-8
Other Names
  • 4-Methyl-3-pentenoic acid
  • 4-methylpent-3-enoic acid
  • Pyroterebic acid
Sources

Physical Properties

Property Value Unit Source
Δf -194.43 kJ/mol Joback Calculated Property
Δfgas -324.55 kJ/mol Joback Calculated Property
Δfus 15.88 kJ/mol Joback Calculated Property
Δvap 52.41 kJ/mol Joback Calculated Property
logPoct/wat 1.43 Crippen Calculated Property
Pc 3995.65 kPa Joback Calculated Property
Tboil 486.77 K Joback Calculated Property
Tc 669.02 K Joback Calculated Property
Tfus 249.09 K Joback Calculated Property
Vc 0.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 205.98 J/mol×K 486.77 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(Z)-CH3CH=CHCH2COOH. 3-Pentenoic acid. 3-Pentenoic acid, 4-methyl-, methyl ester. 3-Hexenoic acid, (E)-. cis-3-Hexenoic acid. cis-3-Hexenoic acid. 3-Hexenoic acid. 3-Hexenedioic acid, trans-. 3-methyl-3-pentenoic acid. 3-Butenoic acid. (Z)-3-Pentenoic acid, methyl ester. 3-Pentenoic acid, methyl ester. 4-METHYL-3-PENTEN-1-OL. (E)-3-methyl-2-pentenoic acid. 2-methyl-3-pentenoic acid.

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