Chemical Properties of Isopropyl tiglate (CAS 1733-25-1)

Isopropyl tiglate

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InChI
InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
InChI Key
VUPBIVVRPJDWNW-FNORWQNLSA-N
Formula
C8H14O2
SMILES
CC=C(C)C(=O)OC(C)C
Molecular Weight1
142.20
CAS
1733-25-1
Other Names
  • 2-Butenoic acid, 2-methyl, 1-isopropyl ester (E)-
  • 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (E)-
  • Isopropyl (2E)-2-methyl-2-butenoate
  • Isopropyl 2-methyl-2-butenoate
  • Isopropyl «alpha»-methyl crotonate
  • Tiglic acid isopropyl ester
  • isopropyl 2-methylcrotonate
Sources

Physical Properties

Property Value Unit Source
Δf -148.21 kJ/mol Joback Calculated Property
Δfgas -351.10 kJ/mol Joback Calculated Property
Δfus 14.63 kJ/mol Joback Calculated Property
Δvap 42.21 kJ/mol Joback Calculated Property
logPoct/wat 1.90 Crippen Calculated Property
Pc 2844.44 kPa Joback Calculated Property
Tboil 462.33 K Joback Calculated Property
Tc 653.28 K Joback Calculated Property
Tfus 218.04 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 263.35 J/mol×K 462.33 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethyl angelate. Ethyl tiglate. Ethyl trans-2-methyl-2-butenoate. (Z)-Ethyl 2-methylbut-2-enoate. 2-Butenoic acid, 2-methyl-, ethyl ester. Ethyl angelate. 2-methyl-2-butenoic acid ethyl ester. sec-Butyl (E)-2-methylbut-2-enoate. 2-Propenoic acid, 2-methyl-, 1-methylethyl ester. 2-Butenoic acid, 2-methyl-, 2-propenyl ester, (e)-. Pentan-2-yl 2-methylbut-2-enoate. Pentan-2-yl (E)-2-methylbut-2-enoate. Propyl angelate. 2-Butenoic acid, 2-methyl-, propyl ester, (E)-. 3-Methylbutan-2-yl (E)-2-methylbut-2-enoate.

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