Chemical Properties of (2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate (CAS 6190-46-1)

(2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate

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InChI
InChI=1S/C13H12O4/c1-15-13(14)5-3-2-4-10-6-7-11-12(8-10)17-9-16-11/h2-8H,9H2,1H3/b4-2+,5-3+
InChI Key
VOZJBFJHMHRLDN-ZUVMSYQZSA-N
Formula
C13H12O4
SMILES
COC(=O)C=CC=Cc1ccc2c(c1)OCO2
Molecular Weight1
232.23
CAS
6190-46-1
Sources

Physical Properties

Property Value Unit Source
Δf -25.53 kJ/mol Joback Calculated Property
Δfgas -279.28 kJ/mol Joback Calculated Property
Δfus 38.90 kJ/mol Joback Calculated Property
Δvap 66.45 kJ/mol Joback Calculated Property
logPoct/wat 2.16 Crippen Calculated Property
Pc 2859.68 kPa Joback Calculated Property
Tboil 683.40 K Joback Calculated Property
Tc 915.31 K Joback Calculated Property
Tfus 425.05 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 440.74 J/mol×K 683.4 Joback Calculated Property
η 0.00 Pa×s 683.4 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 2
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
=CH- 4
-CH3 1
-CH2- (ring) 1

Similar Compounds

6-(Benzo[d][1,3]dioxol-5-yl)hexa-3,5-dien-2-one. Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-. 1,3-Benzodioxole, 5-(1-propenyl)-. 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-. 2-Propenal, 3-(1,3-benzodioxol-5-yl)-. 3,4-Methylenedioxycinnamic acid. 3,4-Methylenedioxybenzylidene acetone. 3,4-Methylenedioxystyrene. 5-(Methylenedioxyphenyl)-2,4-pentadienoyl pyrrolidide (Piperylin). (Z)-1-(3',4'-Dimethoxyphenyl)butadiene. (E)-1-(3,4-dimethoxyphenyl)butadiene. Stiripentol. (2E,4E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one. cis-Methyl isoeugenol. (E)-Methyl isoeugenol.

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