- InChI
- InChI=1S/C15H9ClN2O2/c16-14-6-4-12(5-7-14)13(10-17)8-11-2-1-3-15(9-11)18(19)20/h1-9H/b13-8+
- InChI Key
- RTDWPLYDMXBIEL-MDWZMJQESA-N
- Formula
- C15H9ClN2O2
- SMILES
-
N#CC(=Cc1cccc([N+](=O)[O-])c1)
c1ccc(Cl)cc1 - Molecular Weight1
- 284.70
- CAS
- 104089-72-7
- 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).
- 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° | 509.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 343.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.70 | Crippen Calculated Property | |
| logPoct/wat | 4.312 | Crippen Calculated Property | |
| McVol | 201.430 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| Tboil | 901.31 | K | Joback Calculated Property |
| Tc | 1180.80 | K | Joback Calculated Property |
| Tfus | 556.17 | K | Joback Calculated Property |
| Vc | 0.797 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.24; 579.96] | J/mol×K | [901.31; 1180.80] | 
|
| Cp,gas | 530.24 | J/mol×K | 901.31 | Joback Calculated Property |
| Cp,gas | 540.12 | J/mol×K | 947.89 | Joback Calculated Property |
| Cp,gas | 549.16 | J/mol×K | 994.47 | Joback Calculated Property |
| Cp,gas | 557.53 | J/mol×K | 1041.05 | Joback Calculated Property |
| Cp,gas | 565.35 | J/mol×K | 1087.63 | Joback Calculated Property |
| Cp,gas | 572.78 | J/mol×K | 1134.22 | Joback Calculated Property |
| Cp,gas | 579.96 | J/mol×K | 1180.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Nitrobenzylidene-p-chlorophenylacetonitrile.
Sources
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