- InChI
- InChI=1S/C16H12N2O2/c1-12-5-2-3-8-16(12)14(11-17)9-13-6-4-7-15(10-13)18(19)20/h2-10H,1H3/b14-9+
- InChI Key
- LKSIDQCVROUBOP-NTEUORMPSA-N
- Formula
- C16H12N2O2
- SMILES
-
Cc1ccccc1C(C#N)=Cc1cccc([N+](=
O)[O-])c1 - Molecular Weight1
- 264.28
- CAS
- 31881-13-7
- 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 | [-8175.87; -8171.00] | kJ/mol |
|
| ΔcH°solid | -8171.00 | kJ/mol | NIST |
| ΔcH°solid | -8175.87 | kJ/mol | NIST |
| ΔfG° | 529.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 338.10 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [157.00; 165.20] | kJ/mol |
|
| ΔfH°solid | 157.00 | kJ/mol | NIST |
| ΔfH°solid | 165.20 | kJ/mol | NIST |
| ΔfusH° | 36.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 3.967 | Crippen Calculated Property | |
| McVol | 203.280 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Tboil | 886.76 | K | Joback Calculated Property |
| Tc | 1159.23 | K | Joback Calculated Property |
| Tfus | 537.52 | K | Joback Calculated Property |
| Vc | 0.804 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.68; 623.95] | J/mol×K | [886.76; 1159.23] |
|
| Cp,gas | 566.68 | J/mol×K | 886.76 | Joback Calculated Property |
| Cp,gas | 578.13 | J/mol×K | 932.17 | Joback Calculated Property |
| Cp,gas | 588.63 | J/mol×K | 977.58 | Joback Calculated Property |
| Cp,gas | 598.33 | J/mol×K | 1022.99 | Joback Calculated Property |
| Cp,gas | 607.36 | J/mol×K | 1068.40 | Joback Calculated Property |
| Cp,gas | 615.85 | J/mol×K | 1113.81 | Joback Calculated Property |
| Cp,gas | 623.95 | J/mol×K | 1159.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Nitrobenzylidene-2-methylphenylacetonitrile.
Sources
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