- InChI
- InChI=1S/C10H9NO4/c1-15-10(12)7-9(11(13)14)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
- InChI Key
- ZRJCWSPYKILXGU-CLFYSBASSA-N
- Formula
- C10H9NO4
- SMILES
-
COC(=O)C=C(c1ccccc1)[N+](=O)[O
-] - Molecular Weight1
- 207.18
- CAS
- 42251-12-7
- 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° | 19.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 1.477 | Crippen Calculated Property | |
| McVol | 148.560 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Tboil | 687.05 | K | Joback Calculated Property |
| Tc | 937.69 | K | Joback Calculated Property |
| Tfus | 425.61 | K | Joback Calculated Property |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.96; 429.82] | J/mol×K | [687.05; 937.69] | 
|
| Cp,gas | 372.96 | J/mol×K | 687.05 | Joback Calculated Property |
| Cp,gas | 384.71 | J/mol×K | 728.82 | Joback Calculated Property |
| Cp,gas | 395.47 | J/mol×K | 770.60 | Joback Calculated Property |
| Cp,gas | 405.30 | J/mol×K | 812.37 | Joback Calculated Property |
| Cp,gas | 414.26 | J/mol×K | 854.14 | Joback Calculated Property |
| Cp,gas | 422.41 | J/mol×K | 895.92 | Joback Calculated Property |
| Cp,gas | 429.82 | J/mol×K | 937.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z) Methyl 2-nitro-3-phenylpropenoate.
Sources
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