- InChI
- InChI=1S/C16H12ClNO/c1-19-16-8-2-12(3-9-16)10-14(11-18)13-4-6-15(17)7-5-13/h2-10H,1H3/b14-10+
- InChI Key
- VXRHURWDVQKETO-GXDHUFHOSA-N
- Formula
- C16H12ClNO
- SMILES
-
COc1ccc(C=C(C#N)c2ccc(Cl)cc2)c
c1 - Molecular Weight1
- 269.73
- CAS
- 72030-11-6
- 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° | 377.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 200.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.40 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 4.413 | Crippen Calculated Property | |
| McVol | 203.970 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Tboil | 794.77 | K | Joback Calculated Property |
| Tc | 1049.59 | K | Joback Calculated Property |
| Tfus | 446.06 | K | Joback Calculated Property |
| Vc | 0.789 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.96; 583.43] | J/mol×K | [794.77; 1049.59] | 
|
| Cp,gas | 522.96 | J/mol×K | 794.77 | Joback Calculated Property |
| Cp,gas | 535.42 | J/mol×K | 837.24 | Joback Calculated Property |
| Cp,gas | 546.81 | J/mol×K | 879.71 | Joback Calculated Property |
| Cp,gas | 557.23 | J/mol×K | 922.18 | Joback Calculated Property |
| Cp,gas | 566.75 | J/mol×K | 964.65 | Joback Calculated Property |
| Cp,gas | 575.46 | J/mol×K | 1007.12 | Joback Calculated Property |
| Cp,gas | 583.43 | J/mol×K | 1049.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Methoxybenzylidene-p-chlorophenylacetonitrile.
Sources
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