- InChI
- InChI=1S/C18H16N2O2/c1-13(2)15-6-8-16(9-7-15)17(12-19)10-14-4-3-5-18(11-14)20(21)22/h3-11,13H,1-2H3/b17-10+
- InChI Key
- PWWZEFHODWBKGO-LICLKQGHSA-N
- Formula
- C18H16N2O2
- SMILES
-
CC(C)c1ccc(C(C#N)=Cc2cccc([N+]
(=O)[O-])c2)cc1 - Molecular Weight1
- 292.33
- CAS
- 53466-03-8
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 |
|---|---|---|---|
| ΔcH°solid | -9506.55 | kJ/mol | NIST |
| ΔfG° | 544.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 291.54 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 136.60 | kJ/mol | NIST |
| ΔfusH° | 37.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 4.782 | Crippen Calculated Property | |
| McVol | 231.460 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Tboil | 932.08 | K | Joback Calculated Property |
| Tc | 1198.17 | K | Joback Calculated Property |
| Tfus | 545.06 | K | Joback Calculated Property |
| Vc | 0.910 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.78; 741.22] | J/mol×K | [932.08; 1198.17] | 
|
| Cp,gas | 678.78 | J/mol×K | 932.08 | Joback Calculated Property |
| Cp,gas | 691.08 | J/mol×K | 976.43 | Joback Calculated Property |
| Cp,gas | 702.44 | J/mol×K | 1020.78 | Joback Calculated Property |
| Cp,gas | 713.00 | J/mol×K | 1065.13 | Joback Calculated Property |
| Cp,gas | 722.88 | J/mol×K | 1109.47 | Joback Calculated Property |
| Cp,gas | 732.25 | J/mol×K | 1153.82 | Joback Calculated Property |
| Cp,gas | 741.22 | J/mol×K | 1198.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Nitrobenzylidene-p-isopropylphenylacetonitrile.
Sources
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