- InChI
- InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
- InChI Key
- NHWQMJMIYICNBP-UHFFFAOYSA-N
- Formula
- C7H4ClN
- SMILES
- N#Cc1ccccc1Cl
- Molecular Weight1
- 137.57
- CAS
- 873-32-5
- Other Names
-
- Benzonitrile, o-chloro-
- o-Chlorobenzonitrile
- o-Chlorocyanobenzene
- o-Cyanochlorobenzene
- 2-Chlorobenzonitrile
- o-Chlorbenzonitril
- Nitril kyseliny o-chlorbenzoove
- 2-Chlorobenzoic acid nitrile
- 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 | 0.3671 | Relay (1.0) Calculated Property | |
| ΔfG° | 232.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 178.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.212 | Crippen Calculated Property | |
| McVol | 99.350 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Tboil | 498.32 | K | Relay (1.0) Calculated Property |
| Tc | 753.44 | K | Relay (1.0) Calculated Property |
| Tfus | 332.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.361 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.15; 220.98] | J/mol×K | [530.93; 773.40] | 
|
| Cp,gas | 181.15 | J/mol×K | 530.93 | Joback Calculated Property |
| Cp,gas | 189.17 | J/mol×K | 571.34 | Joback Calculated Property |
| Cp,gas | 196.60 | J/mol×K | 611.75 | Joback Calculated Property |
| Cp,gas | 203.46 | J/mol×K | 652.17 | Joback Calculated Property |
| Cp,gas | 209.79 | J/mol×K | 692.58 | Joback Calculated Property |
| Cp,gas | 215.62 | J/mol×K | 732.99 | Joback Calculated Property |
| Cp,gas | 220.98 | J/mol×K | 773.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 2-chloro-.
Sources
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