Chemical Properties of Isoelemicin (CAS 487-12-7)

Isoelemicin

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InChI
InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
InChI Key
RRXOQHQFJOQLQR-AATRIKPKSA-N
Formula
C12H16O3
SMILES
CC=Cc1cc(OC)c(OC)c(OC)c1
Molecular Weight1
208.25
CAS
487-12-7
Other Names
  • Benzene, 5(1-propenyl)-1,2,3-trimethoxy
  • Isoelemicine
Sources

Physical Properties

Property Value Unit Source
Δf -101.10 kJ/mol Joback Calculated Property
Δfgas -368.33 kJ/mol Joback Calculated Property
Δfus 23.48 kJ/mol Joback Calculated Property
Δvap 53.76 kJ/mol Joback Calculated Property
logPoct/wat 2.75 Crippen Calculated Property
Pc 2304.74 kPa Joback Calculated Property
Tboil 587.00 K Joback Calculated Property
Tc 792.75 K Joback Calculated Property
Tfus 350.59 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 404.78 J/mol×K 587.0 Joback Calculated Property
η 0.00 Pa×s 587.0 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(Z )-Isoelimicin. Isoelemicin. cis-Isoelemicine. (E)-1-(2',4',5'-Trimethoxyphenyl)butadiene. Phenol, 4-(1-propenyl)-2,6-dimethoxy, (E)-. Phenol, 4-(1-propenyl)-2,6-dimethoxy, (Z)-. Phenol, 4-(1-propenyl)-2,6-dimethoxy. (E)-2,6-Dimethoxy-4-(prop-1-en-1-yl)phenol. 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl), (E)-. 3,5-Dimethoxy-4-hydroxycinnamaldehyde. 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl), (Z)-. 3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propen-1-al (sinapaldehyde). cis-Methyl isoeugenol. (E)-Methyl isoeugenol. Benzene, 1,2-dimethoxy-4-(1-propenyl)-.

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