Chemical Properties of 4-(3-Methyloxiranyl)-phenyl tiglate

4-(3-Methyloxiranyl)-phenyl tiglate

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InChI
InChI=1S/C14H16O3/c1-4-9(2)14(15)17-12-7-5-11(6-8-12)13-10(3)16-13/h4-8,10,13H,1-3H3/b9-4+
InChI Key
NVVSTEISAGGUMC-RUDMXATFSA-N
Formula
C14H16O3
SMILES
CC=C(C)C(=O)Oc1ccc(C2OC2C)cc1
Molecular Weight1
232.27
Sources

Physical Properties

Property Value Unit Source
Δf -25.55 kJ/mol Joback Calculated Property
Δfgas -324.14 kJ/mol Joback Calculated Property
Δfus 34.53 kJ/mol Joback Calculated Property
Δvap 63.00 kJ/mol Joback Calculated Property
logPoct/wat 3.02 Crippen Calculated Property
Pc 2367.97 kPa Joback Calculated Property
Tboil 660.73 K Joback Calculated Property
Tc 885.13 K Joback Calculated Property
Tfus 379.87 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 491.02 J/mol×K 660.73 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-(3-Methyloxiranyl)-phenyl-2-methyl butyrate. Epoxypseudoisoeugenyl tiglate. Epoxypseudoisoeugenyl tiglate II. Epoxypseudoisoeugenyl tiglate I. 4-(2-Propenyl)-phenylangelate. Epoxypseudoisoeugenyl 2-methylbutyrate. p-Cresyl isotiglate. (S)-1-(4-Acetoxyphenyl)propyl acetate. 4-(1-Propenyl)-phenyl tiglate. 4-Methoxy-2-(3-methyloxiranyl)-phenyl tiglate. 4-Methoxy-2-(3-methyloxiranyl)-phenyl angelate. p-Methacryloyloxybenzoic acid. 1-(4-Methoxyphenyl)propane-1,2-diol. (S)-4-(1-Acetoxyallyl)phenyl acetate. (S)-4-(1-Hydroxyallyl)phenyl acetate.

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