- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.3671 | 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° | 58.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 ± 0.06 | eV | NIST |
| 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 |
| Inp | 1117.00 | NIST | |
| Tboil | 505.20 | K | NIST |
| Tc | 753.79 | K | Relay (1.0) Calculated Property |
| Tfus | 333.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.362 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.11; 220.94] | J/mol×K | [530.73; 773.11] | 
|
| Cp,gas | 181.11 | J/mol×K | 530.73 | Joback Calculated Property |
| Cp,gas | 189.13 | J/mol×K | 571.13 | Joback Calculated Property |
| Cp,gas | 196.55 | J/mol×K | 611.52 | Joback Calculated Property |
| Cp,gas | 203.42 | J/mol×K | 651.92 | Joback Calculated Property |
| Cp,gas | 209.75 | J/mol×K | 692.32 | Joback Calculated Property |
| Cp,gas | 215.58 | J/mol×K | 732.72 | Joback Calculated Property |
| Cp,gas | 220.94 | J/mol×K | 773.11 | Joback Calculated Property |
| ΔvapH | 53.50 | kJ/mol | 432.00 | NIST |
Similar Compounds
Find more compounds similar to Benzonitrile, 2-chloro-.
Sources
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