- InChI
- InChI=1S/C6H5NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);1H
- InChI Key
- IBTWUVRCFHJPKN-UHFFFAOYSA-N
- Formula
- C6H6ClNO2
- SMILES
- Cl.O=C(O)c1cccnc1
- Molecular Weight1
- 159.57
- CAS
- 636-79-3
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 |
|---|---|---|---|
| ω | 0.5571 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -311.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.99 | Relay (1.0) Calculated Property | |
| Pc | 5416.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 543.96 | K | Relay (1.0) Calculated Property |
| Tc | 765.52 | K | Relay (1.0) Calculated Property |
| Tfus | 523.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.288 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nicotinic acid hydrochloride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- NIST Webbook
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