Chemical Properties of 3-Methyl-2-butenoic acid, 3-methylbut-2-enyl ester (CAS 72779-06-7)

3-Methyl-2-butenoic acid, 3-methylbut-2-enyl ester

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InChI
InChI=1S/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,7H,6H2,1-4H3
InChI Key
CBERZXRMIOEKPW-UHFFFAOYSA-N
Formula
C10H16O2
SMILES
CC(C)=CCOC(=O)C=C(C)C
Molecular Weight1
168.23
CAS
72779-06-7
Other Names
  • 3-methyl-2-butenyl 3-methyl-2-butenoate
  • 3-methylbut-2-en-1-yl 3-methylbut-2-enoate
Sources

Physical Properties

Property Value Unit Source
Δf -57.26 kJ/mol Joback Calculated Property
Δfgas -279.67 kJ/mol Joback Calculated Property
Δfus 22.23 kJ/mol Joback Calculated Property
Δvap 47.09 kJ/mol Joback Calculated Property
logPoct/wat 2.46 Crippen Calculated Property
Pc 2455.60 kPa Joback Calculated Property
Tboil 512.57 K Joback Calculated Property
Tc 707.11 K Joback Calculated Property
Tfus 236.54 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 332.83 J/mol×K 512.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 1
=CH- 2
-CH3 4

Similar Compounds

3-Methyl-2-butenoic acid, 3-methylbut-2-enyl ester. 3-Methyl-2-butenoic acid, pent-2-en-4-ynyl ester. 2-Butenoic acid, 3-methyl-, ethyl ester. 3-Methyl-2-butenoic acid, 3-chloroprop-2-enyl ester. Allyl (2e)-2-butenoate. 2-Butenoic acid, 3-methyl-, propyl ester. 2-Buten-1-ol, 3-methyl-, acetate. 3-Methyl,2-butenoic acid, isopropyl ester. 3-Methyl-2-butenoic acid, undec-2-enyl ester. 2-Butenoic acid, 3-methyl-, methyl ester. 2-Butenoic acid, 3-methyl-, 2-methylpropyl ester. 2-Butenoic acid, 3-methyl-, butyl ester. Ethyl trans-2-butenoate. 2-Butenoic acid, ethyl ester, (E)-. Ethyl 2-butenoate.

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