Chemical Properties of Homovanillin (CAS 5703-24-2)

Homovanillin

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InChI
InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3
InChI Key
GOQGGGANVKPMNH-UHFFFAOYSA-N
Formula
C9H10O3
SMILES
COc1cc(CC=O)ccc1O
Molecular Weight1
166.17
CAS
5703-24-2
Other Names
  • Ethanal, 2-(4-hydroxy-3-methoxyphenyl)
  • 2-(4-hydroxy-3-methoxyphenyl) acetaldehyde
  • 1-(4-Hydroxy-3-methoxyphenyl)-ethanal (homovanillin)
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Physical Properties

Property Value Unit Source
Δf -231.46 kJ/mol Joback Calculated Property
Δfgas -399.14 kJ/mol Joback Calculated Property
Δfus 21.98 kJ/mol Joback Calculated Property
Δvap 60.71 kJ/mol Joback Calculated Property
log10WS -1.22 Crippen Calculated Property
logPoct/wat 1.142 Crippen Calculated Property
McVol 127.220 ml/mol McGowan Calculated Property
Pc 4109.14 kPa Joback Calculated Property
Inp [1406.00; 1406.00]   Show Hide
Inp 1406.00 NIST
Inp 1406.00 NIST
Tboil 588.68 K Joback Calculated Property
Tc 812.18 K Joback Calculated Property
Tfus 406.08 K Joback Calculated Property
Vc 0.432 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [304.26; 359.35] J/mol×K [588.68; 812.18] Show Hide
Cp,gas 304.26 J/mol×K 588.68 Joback Calculated Property
Cp,gas 314.95 J/mol×K 625.93 Joback Calculated Property
Cp,gas 324.97 J/mol×K 663.18 Joback Calculated Property
Cp,gas 334.37 J/mol×K 700.43 Joback Calculated Property
Cp,gas 343.20 J/mol×K 737.68 Joback Calculated Property
Cp,gas 351.51 J/mol×K 774.93 Joback Calculated Property
Cp,gas 359.35 J/mol×K 812.18 Joback Calculated Property
η [0.0000432; 0.0008942] Pa×s [406.08; 588.68] Show Hide
η 0.0008942 Pa×s 406.08 Joback Calculated Property
η 0.0004525 Pa×s 436.51 Joback Calculated Property
η 0.0002502 Pa×s 466.95 Joback Calculated Property
η 0.0001488 Pa×s 497.38 Joback Calculated Property
η 0.0000939 Pa×s 527.81 Joback Calculated Property
η 0.0000623 Pa×s 558.25 Joback Calculated Property
η 0.0000432 Pa×s 588.68 Joback Calculated Property

Similar Compounds

Phenol, 4-ethyl-2-methoxy-. Homovanillic acid. Benzene, 4-ethyl-1,2-dimethoxy-. Phenol, 2-methoxy-4-propyl-. Homosyringaldehyde. Homovanillyl alcohol. 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-. Eugenol. Propanal, 3-(4-hydroxy-3-methoxyphenyl). Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester. Benzeneacetic acid, 3,4-dimethoxy-. Phenol, 4-(2-aminoethyl)-2-methoxy-. «beta»-(4-Hydroxy-3-methoxyphenyl)propionic acid. Ethyl homovanillate. 1,2-Dimethoxy-4-n-propylbenzene.

Find more compounds similar to Homovanillin.

Sources

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