Chemical Properties of Propyl angelate (CAS 53082-57-8)

Propyl angelate

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InChI
InChI=1S/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3/b7-5-
InChI Key
RZWMDOQSXWAAMC-ALCCZGGFSA-N
Formula
C8H14O2
SMILES
CC=C(C)C(=O)OCCC
Molecular Weight1
142.20
CAS
53082-57-8
Other Names
  • propyl 2-methylisocrotonate
Sources

Physical Properties

Property Value Unit Source
Δf -145.77 kJ/mol Joback Calculated Property
Δfgas -345.82 kJ/mol Joback Calculated Property
Δfus 18.16 kJ/mol Joback Calculated Property
Δvap 42.60 kJ/mol Joback Calculated Property
logPoct/wat 1.91 Crippen Calculated Property
Pc 2820.33 kPa Joback Calculated Property
Tboil 462.77 K Joback Calculated Property
Tc 649.52 K Joback Calculated Property
Tfus 233.04 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 263.21 J/mol×K 462.77 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Butenoic acid, 2-methyl-, propyl ester, (E)-. 2-Butenoic acid, 2-methyl-, butyl ester, (Z)-. n-Butyl tiglate. But-3-enyl (E)-2-methylbut-2-enoate. Methallyl angelate. 2-methylallyl 2-methylcrotonate. 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (E)-. 2-Methyl propyl 2-methyl 2-butenoate. Isobutyl angelate. 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester. Ethyl angelate. Ethyl angelate. (Z)-Ethyl 2-methylbut-2-enoate. 2-methyl-2-butenoic acid ethyl ester. 2-Butenoic acid, 2-methyl-, ethyl ester.

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