Chemical Properties of Gentisic acid (CAS 490-79-9)

Gentisic acid

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InChI
InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChI Key
WXTMDXOMEHJXQO-UHFFFAOYSA-N
Formula
C5H11NO2
SMILES
O=C(O)c1cc(O)ccc1O
Molecular Weight1
117.15
CAS
490-79-9
Other Names
  • 2,5-Dhba
  • 2,5-Dihydroxybenzoic acid
  • 2,5-Dioxybenzoic acid
  • 3,6-Dihydroxybenzoic acid
  • 5-Hydroxysalicylic acid
  • Benzoic acid, 2,5-dihydroxy-
  • Gensigen
  • Gensigon
  • Gentisate
  • Gentisinic acid
  • Hydroquinonecarboxylic acid
  • Kyselina 2,5-dihydroxybenzoova
  • Kyselina gentisinova
  • NSC 27224
  • Salicylic acid, 5-hydroxy-
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Physical Properties

Property Value Unit Source
PAff 531.60 ± 1.30 kJ/mol NIST
Δf -454.51 kJ/mol Joback Calculated Property
Δfgas -570.71 kJ/mol Joback Calculated Property
Δfus 20.80 kJ/mol Vapor P...
Δsub 130.40 ± 1.30 kJ/mol NIST
Δvap 82.90 kJ/mol Joback Calculated Property
log10WS -0.11 Aq. Sol...
logPoct/wat 0.796 Crippen Calculated Property
McVol 104.910 ml/mol McGowan Calculated Property
Pc 8175.04 kPa Joback Calculated Property
Tboil 693.53 K Joback Calculated Property
Tc 922.45 K Joback Calculated Property
Tfus 476.40 K Aq. Sol...
Vc 0.277 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [267.80; 301.93] J/mol×K [693.53; 922.45] Show Hide
Cp,gas 267.80 J/mol×K 693.53 Joback Calculated Property
Cp,gas 273.90 J/mol×K 731.68 Joback Calculated Property
Cp,gas 279.67 J/mol×K 769.84 Joback Calculated Property
Cp,gas 285.24 J/mol×K 807.99 Joback Calculated Property
Cp,gas 290.73 J/mol×K 846.15 Joback Calculated Property
Cp,gas 296.25 J/mol×K 884.30 Joback Calculated Property
Cp,gas 301.93 J/mol×K 922.45 Joback Calculated Property
η [0.0000008; 0.0000285] Pa×s [529.26; 693.53] Show Hide
η 0.0000285 Pa×s 529.26 Joback Calculated Property
η 0.0000136 Pa×s 556.64 Joback Calculated Property
η 0.0000069 Pa×s 584.02 Joback Calculated Property
η 0.0000038 Pa×s 611.39 Joback Calculated Property
η 0.0000021 Pa×s 638.77 Joback Calculated Property
η 0.0000013 Pa×s 666.15 Joback Calculated Property
η 0.0000008 Pa×s 693.53 Joback Calculated Property
ΔfusH 20.80 kJ/mol 476.20 NIST
ΔsubH [117.90; 128.10] kJ/mol [370.50; 380.50] Show Hide
ΔsubH 117.90 ± 1.40 kJ/mol 370.50 NIST
ΔsubH 128.10 ± 1.40 kJ/mol 380.50 NIST
Psub [5.23e-05; 3.07e-04] kPa [361.80; 378.70] Show Hide
Psub 5.23e-05 kPa 361.80 Vapor P...
Psub 5.50e-05 kPa 362.00 Vapor P...
Psub 5.61e-05 kPa 362.00 Vapor P...
Psub 6.93e-05 kPa 363.90 Vapor P...
Psub 7.14e-05 kPa 364.00 Vapor P...
Psub 6.86e-05 kPa 364.10 Vapor P...
Psub 8.54e-05 kPa 365.70 Vapor P...
Psub 8.63e-05 kPa 366.10 Vapor P...
Psub 8.54e-05 kPa 366.20 Vapor P...
Psub 1.04e-04 kPa 368.20 Vapor P...
Psub 1.10e-04 kPa 368.20 Vapor P...
Psub 1.10e-04 kPa 368.20 Vapor P...
Psub 1.35e-04 kPa 370.00 Vapor P...
Psub 1.34e-04 kPa 370.20 Vapor P...
Psub 1.40e-04 kPa 370.30 Vapor P...
Psub 1.62e-04 kPa 372.30 Vapor P...
Psub 1.65e-04 kPa 372.30 Vapor P...
Psub 1.59e-04 kPa 372.40 Vapor P...
Psub 2.19e-04 kPa 374.40 Vapor P...
Psub 2.19e-04 kPa 374.50 Vapor P...
Psub 2.21e-04 kPa 374.60 Vapor P...
Psub 2.47e-04 kPa 376.40 Vapor P...
Psub 2.57e-04 kPa 376.50 Vapor P...
Psub 2.49e-04 kPa 376.70 Vapor P...
Psub 2.95e-04 kPa 378.60 Vapor P...
Psub 3.07e-04 kPa 378.60 Vapor P...
Psub 2.98e-04 kPa 378.70 Vapor P...

Similar Compounds

Salicylic acid. Benzoic acid, 2,3-dihydroxy-. 3-hydroxybenzoic acid. Benzoic acid, 2,5-dihydroxy-, methyl ester. Benzoic acid, 5-chloro-2-hydroxy-. «beta»-Resorcylic acid. Benzoic acid, 5-bromo-2-hydroxy-. 2-Naphthalenecarboxylic acid, 3-hydroxy-. 5-Methylsalicylic acid. 2-Hydroxy-4-methylbenzoic acid. Benzoic acid, 2,6-dihydroxy-. Calcium salicylate. 1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-. 2,5-Dimethoxybenzoic acid. methyl salicylate.

Find more compounds similar to Gentisic acid.

Sources

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