Chemical Properties of Orcinyl angelate

Orcinyl angelate

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InChI
InChI=1S/C12H14O3/c1-4-9(3)12(14)15-11-6-8(2)5-10(13)7-11/h4-7,13H,1-3H3/b9-4-
InChI Key
AFRZSDNGGFCOLA-WTKPLQERSA-N
Formula
C12H14O3
SMILES
CC=C(C)C(=O)Oc1cc(C)cc(O)c1
Molecular Weight1
206.24
Sources

Physical Properties

Property Value Unit Source
Δf -163.93 kJ/mol Joback Calculated Property
Δfgas -380.63 kJ/mol Joback Calculated Property
Δfus 27.95 kJ/mol Joback Calculated Property
Δvap 67.45 kJ/mol Joback Calculated Property
logPoct/wat 2.57 Crippen Calculated Property
Pc 3079.57 kPa Joback Calculated Property
Tboil 666.57 K Joback Calculated Property
Tc 895.59 K Joback Calculated Property
Tfus 428.78 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 424.33 J/mol×K 666.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
=CH- 1
-CH3 3
-OH (phenol) 1

Similar Compounds

Orcinyl tiglate. Orcinyl di-tiglate. Orcinyl diangelate. Methacrylic acid, 3-ethylphenyl ester. p-Cresyl isotiglate. 3-Methylbut-2-enoic acid, 3-methylphenyl ester. Orcinol, monoacetate. 3-Methylbut-2-enoic acid, 3,5-dimethylphenyl ester. Orcinol, diacetate. 2-Heptenoic acid, 3-methylphenyl ester. 4-(1-Propenyl)-phenyl tiglate. 4-(2-Propenyl)-phenylangelate. Methacrylic acid, 2,3-dimethylphenyl ester. Butanoic acid, 3-methylphenyl ester. 2,2-Dimethylpropanoic acid, 3-methylphenyl ester.

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