- InChI
- InChI=1S/C10H5ClN2O/c11-8-4-2-1-3-7(8)9-10(5-12,6-13)14-9/h1-4,9H
- InChI Key
- MVPVSDDVDXPOOP-UHFFFAOYSA-N
- Formula
- C10H5ClN2O
- SMILES
- N#CC1(C#N)OC1c1ccccc1Cl
- Molecular Weight1
- 204.61
- CAS
- 3513-08-4
- Other Names
-
- Oxirane, 2,2-dicyano-3-(2-chlorophenyl)
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 351.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 225.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.197 | Crippen Calculated Property | |
| McVol | 138.010 | ml/mol | McGowan Calculated Property |
| Pc | 3032.27 | kPa | Joback Calculated Property |
| Inp | [1366.00; 1366.00] |
|
|
| Inp | 1366.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Tboil | 730.71 | K | Joback Calculated Property |
| Tc | 993.53 | K | Joback Calculated Property |
| Tfus | 465.47 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.76; 386.56] | J/mol×K | [730.71; 993.53] |
|
| Cp,gas | 331.76 | J/mol×K | 730.71 | Joback Calculated Property |
| Cp,gas | 340.55 | J/mol×K | 774.51 | Joback Calculated Property |
| Cp,gas | 349.16 | J/mol×K | 818.32 | Joback Calculated Property |
| Cp,gas | 357.83 | J/mol×K | 862.12 | Joback Calculated Property |
| Cp,gas | 366.80 | J/mol×K | 905.92 | Joback Calculated Property |
| Cp,gas | 376.30 | J/mol×K | 949.73 | Joback Calculated Property |
| Cp,gas | 386.56 | J/mol×K | 993.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxirane-2,2-dicarbonitrile, 3-(2-chlorophenyl)-.
Sources
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