Chemical Properties of Vanillic acid (CAS 121-34-6)

Vanillic acid

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InChI
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChI Key
WKOLLVMJNQIZCI-UHFFFAOYSA-N
Formula
C8H8O4
SMILES
COc1cc(C(=O)O)ccc1O
Molecular Weight1
168.15
CAS
121-34-6
Other Names
  • 3-Methoxy-4-Hydroxybenzoic acid
  • 4-Hydroxy-3-methoxybenzoic acid
  • 4-Hydroxy-3-methoxybenzoic acid (vanillic acid)
  • Acide vanillique
  • Benzoic acid, 4-hydroxy-3-methoxy-
  • NSC 3987
  • NSC 674322
  • Protocatechuic acid, 3-methyl ester
  • VA
  • m-Anisic acid, 4-hydroxy-
  • p-Vanillic acid

Physical Properties

Property Value Unit Source
Δf -406.10 kJ/mol Joback Calculated Property
Δfgas -557.73 kJ/mol Joback Calculated Property
Δfus [29.10; 32.80] kJ/mol Show Hide
Δfus 32.80 ± 0.66 kJ/mol Measure...
Δfus 29.10 kJ/mol Solubil...
Δvap 75.19 kJ/mol Joback Calculated Property
log10WS -2.05 Aq. Sol...
logPoct/wat 1.099 Crippen Calculated Property
McVol 119.000 ml/mol McGowan Calculated Property
Pc 5228.24 kPa Joback Calculated Property
Inp [1566.00; 1620.00]   Show Hide
Inp 1592.00 NIST
Inp 1566.00 NIST
Inp 1566.00 NIST
Inp 1620.00 NIST
Inp 1570.00 NIST
Inp 1608.00 NIST
Tboil 663.19 K Joback Calculated Property
Tc 878.05 K Joback Calculated Property
Tfus [478.00; 485.48] K Show Hide
Tfus 484.90 ± 0.20 K Measure...
Tfus 485.48 K Aq. Sol...
Tfus 480.70 K Solubil...
Tfus 483.00 ± 5.00 K NIST
Tfus 478.00 ± 4.00 K NIST
Vc 0.385 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [298.09; 340.07] J/mol×K [663.19; 878.05] Show Hide
Cp,gas 298.09 J/mol×K 663.19 Joback Calculated Property
Cp,gas 306.15 J/mol×K 699.00 Joback Calculated Property
Cp,gas 313.72 J/mol×K 734.81 Joback Calculated Property
Cp,gas 320.86 J/mol×K 770.62 Joback Calculated Property
Cp,gas 327.60 J/mol×K 806.43 Joback Calculated Property
Cp,gas 333.98 J/mol×K 842.24 Joback Calculated Property
Cp,gas 340.07 J/mol×K 878.05 Joback Calculated Property
η [0.0000078; 0.0003059] Pa×s [463.56; 663.19] Show Hide
η 0.0003059 Pa×s 463.56 Joback Calculated Property
η 0.0001353 Pa×s 496.83 Joback Calculated Property
η 0.0000663 Pa×s 530.10 Joback Calculated Property
η 0.0000353 Pa×s 563.38 Joback Calculated Property
η 0.0000202 Pa×s 596.65 Joback Calculated Property
η 0.0000123 Pa×s 629.92 Joback Calculated Property
η 0.0000078 Pa×s 663.19 Joback Calculated Property

Similar Compounds

3-Hydroxy-4-methoxybenzoic acid. Benzoic acid, 3,4-dimethoxy-. Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester. 1,3-Benzodioxole-5-carboxylic acid. Benzoic acid, 4-hydroxy-3,5-dimethoxy-. Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester. 3,4-Dimethoxybenzoic anhydride. 3,4-Diethoxybenzoic acid. 3-Hydroxy-4,5-dimethoxybenzoic acid. Benzoic acid, 3,4-dimethoxy-, methyl ester. Benzoic acid, 3-methoxy-. Benzoic acid, 3,4,5-trimethoxy-. 4-Hydroxy-3-methoxybenzyl alcohol. Benzoic acid, 3,4-dihydroxy-. Vanillin.

Find more compounds similar to Vanillic acid.

Mixtures

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