- InChI
- InChI=1S/C16H12N2O2/c1-12-4-2-3-5-16(12)14(11-17)10-13-6-8-15(9-7-13)18(19)20/h2-10H,1H3/b14-10+
- InChI Key
- OREZEYYKRMGTBJ-GXDHUFHOSA-N
- Formula
- C16H12N2O2
- SMILES
-
Cc1ccccc1C(C#N)=Cc1ccc([N+](=O
)[O-])cc1 - Molecular Weight1
- 264.28
- CAS
- 31881-14-8
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6709 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-8186.00; -8182.44] | kJ/mol |
|
| ΔcH°solid | -8186.00 | kJ/mol | NIST |
| ΔcH°solid | -8182.44 | kJ/mol | NIST |
| ΔfG° | 529.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 320.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [171.80; 172.00] | kJ/mol |
|
| ΔfH°solid | 172.00 | kJ/mol | NIST |
| ΔfH°solid | 171.80 | kJ/mol | NIST |
| ΔfusH° | 36.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) 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 | 652.24 | K | Relay (1.0) Calculated Property |
| Tc | 965.69 | K | Relay (1.0) Calculated Property |
| Tfus | 419.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) 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 p-Nitrobenzylidene-2-methylphenylacetonitrile.
Sources
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