- InChI
- InChI=1S/C10H9NO4/c1-15-10(12)6-5-8-3-2-4-9(7-8)11(13)14/h2-7H,1H3/b6-5+
- InChI Key
- DKQXESBKFCYESZ-AATRIKPKSA-N
- Formula
- C10H9NO4
- SMILES
-
COC(=O)C=Cc1cccc([N+](=O)[O-])
c1 - Molecular Weight1
- 207.18
- CAS
- 1664-59-1
- ω : Acentric Factor.
- 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).
- 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 | 0.5985 | Relay (1.0) Calculated Property | |
| ΔfG° | 17.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.781 | Crippen Calculated Property | |
| McVol | 148.560 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Tboil | 569.77 | K | Relay (1.0) Calculated Property |
| Tc | 806.14 | K | Relay (1.0) Calculated Property |
| Tfus | 342.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.69; 427.33] | J/mol×K | [692.15; 939.29] | 
|
| Cp,gas | 371.69 | J/mol×K | 692.15 | Joback Calculated Property |
| Cp,gas | 383.11 | J/mol×K | 733.34 | Joback Calculated Property |
| Cp,gas | 393.60 | J/mol×K | 774.53 | Joback Calculated Property |
| Cp,gas | 403.23 | J/mol×K | 815.72 | Joback Calculated Property |
| Cp,gas | 412.03 | J/mol×K | 856.91 | Joback Calculated Property |
| Cp,gas | 420.05 | J/mol×K | 898.10 | Joback Calculated Property |
| Cp,gas | 427.33 | J/mol×K | 939.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to M-nitro cinnamic acid, methyl ester.
Sources
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