Chemical Properties of 3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propen-1-al (sinapaldehyde) (CAS 4206-58-0)

3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propen-1-al (sinapaldehyde)

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
InChI Key
CDICDSOGTRCHMG-ONEGZZNKSA-N
Formula
C11H12O4
SMILES
COc1cc(C=CC=O)cc(OC)c1O
Molecular Weight1
208.21
CAS
4206-58-0
Other Names
  • trans-Sinapaldehyde
Sources

Physical Properties

Property Value Unit Source
Δf -249.03 kJ/mol Joback Calculated Property
Δfgas -466.89 kJ/mol Joback Calculated Property
Δfus 28.16 kJ/mol Joback Calculated Property
Δvap 68.19 kJ/mol Joback Calculated Property
logPoct/wat 1.62 Crippen Calculated Property
Pc 3333.53 kPa Joback Calculated Property
Tboil 666.00 K Joback Calculated Property
Tc 888.57 K Joback Calculated Property
Tfus 458.29 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 398.69 J/mol×K 666.0 Joback Calculated Property
η 0.00 Pa×s 666.0 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=CH- (ring) 2
=C< (ring) 4
=CH- 2
-CH3 2
-OH (phenol) 1
O=CH- (aldehyde) 1

Similar Compounds

2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl), (Z)-. 3,5-Dimethoxy-4-hydroxycinnamaldehyde. Phenol, 4-(1-propenyl)-2,6-dimethoxy, (E)-. Phenol, 4-(1-propenyl)-2,6-dimethoxy. Phenol, 4-(1-propenyl)-2,6-dimethoxy, (Z)-. (E)-2,6-Dimethoxy-4-(prop-1-en-1-yl)phenol. Cinnamic acid, 4-hydroxy-3,5-dimethoxy-. 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl), (E)-. cis-Isoelemicine. Isoelemicin. Isoelemicin. (Z )-Isoelimicin. 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-. Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate). (E)-1-(2',4',5'-Trimethoxyphenyl)butadiene.

Find more compounds similar to 3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propen-1-al (sinapaldehyde).

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.