Chemical Properties of 2-Phenylethyl tiglate (CAS 55719-85-2)

2-Phenylethyl tiglate

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InChI
InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+
InChI Key
KVMWYGAYARXPOL-QDEBKDIKSA-N
Formula
C13H16O2
SMILES
CC=C(C)C(=O)OCCc1ccccc1
Molecular Weight1
204.26
CAS
55719-85-2
Other Names
  • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-
  • 2-Phenylethanol tiglate
  • 2-Phenylethyl (2E)-2-methyl-2-butenoate
  • 2-Phenylethyl (E)-2-methyl-2-butenoate
  • Phenethyl tiglate
  • Phenylethyl (E)-2-methyl-2-butenoate
  • Phenylethyl tiglate
  • Phenylethyl «alpha»-methylbutenoate, (E)-
  • phenethyl 2-methylcrotonate
  • trans-2-Butenoic acid, 2-methyl-, phenethyl ester
  • trans-2-Methyl-2-butenoic acid, phenethyl ester
  • «beta»-Phenylethyl tiglate
Sources

Physical Properties

Property Value Unit Source
Δf 8.74 kJ/mol Joback Calculated Property
Δfgas -212.49 kJ/mol Joback Calculated Property
Δfus 25.15 kJ/mol Joback Calculated Property
Δvap 56.00 kJ/mol Joback Calculated Property
logPoct/wat 2.74 Crippen Calculated Property
Pc 2421.88 kPa Joback Calculated Property
Tboil 603.85 K Joback Calculated Property
Tc 818.90 K Joback Calculated Property
Tfus 315.81 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 422.85 J/mol×K 603.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 2
=CH- 1
-CH3 2
>C=O (nonring) 1

Similar Compounds

Phenyl ethyl angelate, 2-. Phenylethyl methacrylate. Propanoic acid, 2-phenylethyl ester. 2-Phenylethyl butyrate. Propanoic acid, 2-methyl-, 2-phenylethyl ester. Propanoic acid, 2,2-dimethyl-, 2-phenylethyl ester. Butanoic acid, 3-methyl-, 2-phenylethyl ester. Valeric acid, 2-phenylethyl ester. Geranic acid, 2-Phenylethyl ester. Glutaric acid, 3-methylbut-2-en-1-yl phenethyl ester. Phenylethyl acetoacetate. Fumaric acid, 2-phenethyl 8-chlorooctyl ester. Hexanoic acid, 2-phenylethyl ester. Acetic acid, 2-phenylethyl ester. Butanoic acid, 2-methyl-, 2-phenylethyl ester.

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