Chemical Properties of Benzoic acid, 3,4,5-trimethoxy- (CAS 118-41-2)

Benzoic acid, 3,4,5-trimethoxy-

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InChI
InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChI Key
SJSOFNCYXJUNBT-UHFFFAOYSA-N
Formula
C10H12O5
SMILES
COc1cc(C(=O)O)cc(OC)c1OC
Molecular Weight1
212.20
CAS
118-41-2
Other Names
  • Eudesmic acid
  • Gallic acid trimethyl ether
  • Tri-O-methylgallic acid
  • Veratric acid, 5-methoxy-
  • 3,4,5-Trimethoxybenzoic acid
  • Trimethylgallic acid
  • NSC 2525

Physical Properties

Property Value Unit Source
Δf -463.90 kJ/mol Joback Calculated Property
Δfgas -709.08 kJ/mol Joback Calculated Property
Δfus 23.78 kJ/mol Joback Calculated Property
Δsub 131.20 ± 0.80 kJ/mol NIST
Δvap 72.77 kJ/mol Joback Calculated Property
log10WS -1.89 Crippen Calculated Property
logPoct/wat 1.411 Crippen Calculated Property
McVol 153.050 ml/mol McGowan Calculated Property
Pc 3127.99 kPa Joback Calculated Property
Inp [1771.80; 1771.80]   Show Hide
Inp 1771.80 NIST
Inp 1771.80 NIST
Tboil 683.13 K Joback Calculated Property
Tc 881.29 K Joback Calculated Property
Tfus 443.88 K Joback Calculated Property
Vc 0.567 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [395.28; 449.51] J/mol×K [683.13; 881.29] Show Hide
Cp,gas 395.28 J/mol×K 683.13 Joback Calculated Property
Cp,gas 405.78 J/mol×K 716.16 Joback Calculated Property
Cp,gas 415.73 J/mol×K 749.18 Joback Calculated Property
Cp,gas 425.10 J/mol×K 782.21 Joback Calculated Property
Cp,gas 433.87 J/mol×K 815.24 Joback Calculated Property
Cp,gas 442.01 J/mol×K 848.26 Joback Calculated Property
Cp,gas 449.51 J/mol×K 881.29 Joback Calculated Property
η [0.0000353; 0.0005426] Pa×s [443.88; 683.13] Show Hide
η 0.0005426 Pa×s 443.88 Joback Calculated Property
η 0.0002852 Pa×s 483.75 Joback Calculated Property
η 0.0001653 Pa×s 523.63 Joback Calculated Property
η 0.0001035 Pa×s 563.50 Joback Calculated Property
η 0.0000690 Pa×s 603.38 Joback Calculated Property
η 0.0000483 Pa×s 643.25 Joback Calculated Property
η 0.0000353 Pa×s 683.13 Joback Calculated Property
ΔfusH 29.90 kJ/mol 444.50 NIST
ΔsubH 127.90 ± 0.80 kJ/mol 363.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 499.20 K 1.30 NIST

Similar Compounds

3-Hydroxy-4,5-dimethoxybenzoic acid. Benzoic acid, 4-hydroxy-3,5-dimethoxy-. Benzoic acid, 3,4-dimethoxy-. Benzoic acid, 3,4,5-trimethoxy-, methyl ester. 3,4,5-Triethoxybenzoic acid. Vanillic acid. 4-Methoxy-3,5-dihydroxybenzoic acid. Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester. 1,3-Benzodioxole-5-carboxylic acid. Benzoic acid, 3,4-dimethoxy-, methyl ester. 3,4-Dimethoxybenzoic anhydride. Benzenemethanol, 3,4,5-trimethoxy-. 3,5-Dimethoxybenzoic acid. 3,4-Diethoxybenzoic acid. 2,3,4-Trimethoxybenzoic acid.

Find more compounds similar to Benzoic acid, 3,4,5-trimethoxy-.

Sources

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