- InChI
- InChI=1S/C12H7Cl2NO2/c13-10-4-3-9(6-11(10)14)17-12(16)8-2-1-5-15-7-8/h1-7H
- InChI Key
- GYEMZNAXCNKADB-UHFFFAOYSA-N
- Formula
- C12H7Cl2NO2
- SMILES
- O=C(Oc1ccc(Cl)c(Cl)c1)c1cccnc1
- Molecular Weight1
- 268.10
- 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.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.6345 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -167.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.608 | Crippen Calculated Property | |
| McVol | 174.320 | ml/mol | McGowan Calculated Property |
| Pc | 3252.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2052.00 | NIST | |
| Tboil | 611.15 | K | Relay (1.0) Calculated Property |
| Tc | 924.61 | K | Relay (1.0) Calculated Property |
| Tfus | 360.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.633 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nicotinic acid, 3,4-dichlorophenyl ester.
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.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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