- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -13.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 112.80 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 70.24 | kJ/mol | Joback Calculated Property |
| IE | [10.00; 10.30] | eV |
|
| IE | 10.00 | eV | NIST |
| IE | 10.30 ± 0.20 | eV | NIST |
| 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] |
|
| 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
Find more compounds similar to Benzoic acid, 4-cyano-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Solubility of 3,5-Dimethoxybenzoic Acid, 4-Cyanobenzoic Acid, 4-Acetoxybenzoic Acid, 3,5-Diaminobenzoic Acid, and 2,4-Dichlorobenzoic Acid in Ethanol
- Joback Method
- McGowan Method
- NIST Webbook
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