Chemical Properties of o-Cyanobenzoic acid (CAS 3839-22-3)

o-Cyanobenzoic acid

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InChI
InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
InChI Key
DTNSDCJFTHMDAK-UHFFFAOYSA-N
Formula
C8H5NO2
SMILES
N#Cc1ccccc1C(=O)O
Molecular Weight1
147.13
CAS
3839-22-3
Other Names
  • Benzoic acid, 2-cyano-
  • 2-Cyanobenzoic acid
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Physical Properties

Property Value Unit Source
Δf -13.30 kJ/mol Joback Calculated Property
Δfgas -83.32 kJ/mol Joback Calculated Property
Δfus 17.32 kJ/mol Joback Calculated Property
Δsub 114.60 ± 1.30 kJ/mol NIST
Δvap 70.24 kJ/mol Joback Calculated Property
log10WS -1.88 Crippen Calculated Property
logPoct/wat 1.256 Crippen Calculated Property
McVol 108.640 ml/mol McGowan Calculated Property
Pc 4216.56 kPa Joback Calculated Property
Tboil 662.23 K Joback Calculated Property
Tc 883.54 K Joback Calculated Property
Tfus 394.60 K Joback Calculated Property
Vc 0.426 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [247.34; 282.34] J/mol×K [662.23; 883.54] Show Hide
Cp,gas 247.34 J/mol×K 662.23 Joback Calculated Property
Cp,gas 254.39 J/mol×K 699.12 Joback Calculated Property
Cp,gas 260.92 J/mol×K 736.00 Joback Calculated Property
Cp,gas 266.96 J/mol×K 772.89 Joback Calculated Property
Cp,gas 272.52 J/mol×K 809.77 Joback Calculated Property
Cp,gas 277.64 J/mol×K 846.66 Joback Calculated Property
Cp,gas 282.34 J/mol×K 883.54 Joback Calculated Property

Similar Compounds

1,2-Benzenedicarboxylic acid. Benzoic acid, 3-cyano-. «alpha»,«alpha»,«alpha»-Trifluoro-o-toluic acid. Benzoic acid, 2-methyl-. 1,2,4-Benzenetricarboxylic acid. 1,2,3-Benzenetricarboxylic acid. Benzoic acid, 2-formyl-. Methyl hydrogen phthalate. 1,2-Benzenedicarboxylic acid, 4-bromo-. 2,4-di(Trifluoromethyl)benzoic acid. 2-Acetylbenzoic acid. 1,2-Benzenedicarboxylic acid, 4-methyl-. 2-((Prop-2-ynyloxy)carbonyl)benzoic acid. Benzoic acid, 2,4-dimethyl-. Benzoic acid, 4-cyano-.

Find more compounds similar to o-Cyanobenzoic acid.

Sources

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