Chemical Properties of p-Cresyl isotiglate

p-Cresyl isotiglate

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InChI
InChI=1S/C12H14O2/c1-4-10(3)12(13)14-11-7-5-9(2)6-8-11/h4-8H,1-3H3/b10-4-
InChI Key
LCQKGXUGNAWHAK-WMZJFQQLSA-N
Formula
C12H14O2
SMILES
CC=C(C)C(=O)Oc1ccc(C)cc1
Molecular Weight1
190.24
Sources

Physical Properties

Property Value Unit Source
Δf -9.31 kJ/mol Joback Calculated Property
Δfgas -203.32 kJ/mol Joback Calculated Property
Δfus 22.17 kJ/mol Joback Calculated Property
Δvap 54.44 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 2627.15 kPa Joback Calculated Property
Tboil 585.95 K Joback Calculated Property
Tc 805.80 K Joback Calculated Property
Tfus 317.06 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 373.70 J/mol×K 585.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
=CH- (ring) 4
=C< (ring) 2
=CH- 1
-CH3 3
>C=O (nonring) 1

Similar Compounds

4-(1-Propenyl)-phenyl tiglate. 4-(2-Propenyl)-phenylangelate. 3-Methylbut-2-enoic acid, 4-cyanophenyl ester. Orcinyl tiglate. Orcinyl angelate. p-Methacryloyloxybenzoic acid. Orcinyl di-tiglate. Orcinyl diangelate. Propanoic acid, 2-methyl-, 4-methylphenyl ester. p-Propionoxybenzaldehyde. Guaiacyl angelate. Guaiacyl tiglate. p-Cresyl isovalerate. 2-Methylpropionic acid, 4-cyanophenyl ester. 4-(3-Methyloxiranyl)-phenyl tiglate.

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