- InChI
- InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
- InChI Key
- YRSSHOVRSMQULE-UHFFFAOYSA-N
- Formula
- C7H3Cl2NO
- SMILES
- N#Cc1cc(Cl)c(O)c(Cl)c1
- Molecular Weight1
- 188.01
- CAS
- 1891-95-8
- Other Names
-
- Benzonitrile, 3,5-dichloro-4-hydroxy-
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5722 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.571 | Crippen Calculated Property | |
| McVol | 117.460 | ml/mol | McGowan Calculated Property |
| Pc | 4222.04 | kPa | Joback Calculated Property |
| Tboil | 506.08 | K | Relay (1.0) Calculated Property |
| Tc | 840.99 | K | Relay (1.0) Calculated Property |
| Tfus | 409.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.72; 261.68] | J/mol×K | [653.76; 910.50] | 
|
| Cp,gas | 231.72 | J/mol×K | 653.76 | Joback Calculated Property |
| Cp,gas | 237.49 | J/mol×K | 696.55 | Joback Calculated Property |
| Cp,gas | 242.83 | J/mol×K | 739.34 | Joback Calculated Property |
| Cp,gas | 247.82 | J/mol×K | 782.13 | Joback Calculated Property |
| Cp,gas | 252.57 | J/mol×K | 824.92 | Joback Calculated Property |
| Cp,gas | 257.16 | J/mol×K | 867.71 | Joback Calculated Property |
| Cp,gas | 261.68 | J/mol×K | 910.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dichloro-4-hydroxybenzonitrile.
Sources
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