Chemical Properties of 3-Methyl-delta2-penten-1,5-dioic acid (CAS 5746-90-7)

3-Methyl-delta2-penten-1,5-dioic acid

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InChI
InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
InChI Key
WKRBKYFIJPGYQC-DUXPYHPUSA-N
Formula
C6H8O4
SMILES
CC(=CC(=O)O)CC(=O)O
Molecular Weight1
144.13
CAS
5746-90-7
Other Names
  • 3-Methyl-delta
Sources

Physical Properties

Property Value Unit Source
Δf -460.17 kJ/mol Joback Calculated Property
Δfgas -589.36 kJ/mol Joback Calculated Property
Δfus 21.56 kJ/mol Joback Calculated Property
Δvap 75.84 kJ/mol Joback Calculated Property
logPoct/wat 0.49 Crippen Calculated Property
Pc 4910.80 kPa Joback Calculated Property
Tboil 632.82 K Joback Calculated Property
Tc 814.94 K Joback Calculated Property
Tfus 359.84 K Joback Calculated Property
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 255.25 J/mol×K 632.82 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-methyl-3-pentenoic acid. 3-Methylglutakonic acid dimethyl ester. dimethyl 3-methylpent-2-enedioate. 3-Methyl-pent-2-enedioic acid dimethyl ester, Z. methyl 3-methyl-3-pentenoate. (E)-1-Propene-1,2,3-tricarboxylic acid. 2-Pentenoic acid, 3-methyl-, methyl ester. Ch2=c(ch3)ch2cooh. 2-Pentenedioic acid, dimethyl ester. 2-Pentenoic acid, 2-methyl-, (E)-. 2-Pentenoic acid, 2-methyl-. 2-Isopropylidenebutanedioic acid. 2-Pentenedioic acid, 2-methyl-, dimethyl ester. Dehydromevalonic lactone. 3-Methylpent-2-ene-1,5-diol.

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