- InChI
- InChI=1S/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H
- InChI Key
- ABHOEQJNEOMTEK-UHFFFAOYSA-N
- Formula
- C7H5NO2
- SMILES
- N#Cc1cc(O)cc(O)c1
- Molecular Weight1
- 135.12
- CAS
- 19179-36-3
- Other Names
-
- Benzonitrile, 3,5-dihydroxy-
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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° | -55.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.96 | kJ/mol | Joback Calculated Property |
| log10WS | -0.92 | Crippen Calculated Property | |
| logPoct/wat | 0.969 | Crippen Calculated Property | |
| McVol | 98.850 | ml/mol | McGowan Calculated Property |
| Pc | 6046.69 | kPa | Joback Calculated Property |
| Tboil | 649.56 | K | Joback Calculated Property |
| Tc | 907.13 | K | Joback Calculated Property |
| Tfus | 483.50 | K | Joback Calculated Property |
| Vc | 0.278 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.38; 269.25] | J/mol×K | [649.56; 907.13] | 
|
| Cp,gas | 234.38 | J/mol×K | 649.56 | Joback Calculated Property |
| Cp,gas | 240.80 | J/mol×K | 692.49 | Joback Calculated Property |
| Cp,gas | 246.75 | J/mol×K | 735.42 | Joback Calculated Property |
| Cp,gas | 252.40 | J/mol×K | 778.34 | Joback Calculated Property |
| Cp,gas | 257.92 | J/mol×K | 821.27 | Joback Calculated Property |
| Cp,gas | 263.48 | J/mol×K | 864.20 | Joback Calculated Property |
| Cp,gas | 269.25 | J/mol×K | 907.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dihydroxybenzonitrile.
Sources
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