- InChI
- InChI=1S/C8H6ClNO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,5H2
- InChI Key
- NHHNUPMHGVIQQC-UHFFFAOYSA-N
- Formula
- C8H6ClNO
- SMILES
- N#CCOc1cccc(Cl)c1
- Molecular Weight1
- 167.59
- CAS
- 43111-32-6
- 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 | 0.5228 | Relay (... Calculated Property | |
| ΔfG° | 135.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 25.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -2.80 | Relay (... Calculated Property | |
| logPoct/wat | 2.242 | Crippen Calculated Property | |
| McVol | 119.310 | ml/mol | McGowan Calculated Property |
| Pc | 3269.04 | kPa | Joback Calculated Property |
| Tboil | 520.21 | K | Relay (... Calculated Property |
| Tc | 773.42 | K | Relay (... Calculated Property |
| Tfus | 302.63 | K | Relay (... Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.55; 290.16] | J/mol×K | [576.03; 810.18] | 
|
| Cp,gas | 243.55 | J/mol×K | 576.03 | Joback Calculated Property |
| Cp,gas | 252.76 | J/mol×K | 615.06 | Joback Calculated Property |
| Cp,gas | 261.37 | J/mol×K | 654.08 | Joback Calculated Property |
| Cp,gas | 269.41 | J/mol×K | 693.11 | Joback Calculated Property |
| Cp,gas | 276.88 | J/mol×K | 732.13 | Joback Calculated Property |
| Cp,gas | 283.79 | J/mol×K | 771.16 | Joback Calculated Property |
| Cp,gas | 290.16 | J/mol×K | 810.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorophenoxyacetonitrile.
Sources
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