- InChI
- InChI=1S/C9H8N2O3/c10-9(12)6-5-7-3-1-2-4-8(7)11(13)14/h1-6H,(H2,10,12)/b6-5+
- InChI Key
- RASLWNGTMHFPIQ-AATRIKPKSA-N
- Formula
- C9H8N2O3
- SMILES
- NC(=O)C=Cc1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 192.17
- CAS
- 2001-33-4
- Other Names
-
- o-Nitrobenzylidene acetamide
- 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 | 0.6688 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4539.89 | kJ/mol | NIST |
| ΔfG° | 180.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -144.70 | kJ/mol | NIST |
| ΔfusH° | 31.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.093 | Crippen Calculated Property | |
| McVol | 138.580 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 579.96 | K | Relay (1.0) Calculated Property |
| Tc | 851.00 | K | Relay (1.0) Calculated Property |
| Tfus | 382.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.20; 400.11] | J/mol×K | [719.38; 981.27] | 
|
| Cp,gas | 351.20 | J/mol×K | 719.38 | Joback Calculated Property |
| Cp,gas | 361.34 | J/mol×K | 763.03 | Joback Calculated Property |
| Cp,gas | 370.57 | J/mol×K | 806.68 | Joback Calculated Property |
| Cp,gas | 378.99 | J/mol×K | 850.32 | Joback Calculated Property |
| Cp,gas | 386.66 | J/mol×K | 893.97 | Joback Calculated Property |
| Cp,gas | 393.67 | J/mol×K | 937.62 | Joback Calculated Property |
| Cp,gas | 400.11 | J/mol×K | 981.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Nitrocinnamide.
Sources
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