Chemical Properties of Benzoic acid, 4-cyano- (CAS 619-65-8)

Benzoic acid, 4-cyano-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
InChI Key
ADCUEPOHPCPMCE-UHFFFAOYSA-N
Formula
C8H5NO2
SMILES
N#Cc1ccc(C(=O)O)cc1
Molecular Weight1
147.13
CAS
619-65-8
Other Names
  • 4-Carboxybenzonitrile
  • 4-Cyanobenzoic acid
  • Benzoic acid, p-cyano-
  • Terephthalic mononitrile
  • p-Carboxybenzonitrile
  • p-Cyanobenzoic acid
Sources

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 112.80 ± 0.40 kJ/mol NIST
Δvap 70.24 kJ/mol Joback Calculated Property
IE 10.00 eV NIST
IE 10.30 ± 0.20 eV NIST
logPoct/wat 1.26 Crippen 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 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 247.34 J/mol×K 662.23 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-OH (alcohol) 1
>C=O (nonring) 1
=C< (ring) 2
=CH- (ring) 4

Similar Compounds

4-Cyanobenzoic acid methyl ester. Benzoic acid, 4-methyl-. Benzoic acid, 4-formyl-. Ethyl 4-cyanobenzoate. 1,4-Benzenedicarboxylic acid. 4-Cyanobenzoic acid, 3-chloroprop-2-enyl ester. Benzonitrile, 4-formyl-. 4-(Chloromethyl)benzoic acid. 4-Vinylbenzoic acid. Benzoic acid, 4-methyl-, methyl ester. 4-Cyanobenzoic acid, butyl ester. 4-Cyanobenzoic acid, 3-methyl-2-enyl ester. Noname. Benzoic acid, sodium salt. Benzoic acid, silver(1+) salt.

Find more compounds similar to Benzoic acid, 4-cyano-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.