- InChI
- InChI=1S/C10H11NO4/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14/h3-7H,1-2H3
- InChI Key
- AIKAOGTVMFOQKJ-UHFFFAOYSA-N
- Formula
- C10H11NO4
- SMILES
-
CC(C)C(=O)Oc1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 209.20
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6506 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 152.860 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Inp | [1576.00; 1576.00] |
|
|
| Inp | 1576.00 | NIST | |
| Inp | 1576.00 | NIST | |
| Tboil | 545.43 | K | Relay (1.0) Calculated Property |
| Tc | 786.42 | K | Relay (1.0) Calculated Property |
| Tfus | 356.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.71; 456.29] | J/mol×K | [687.55; 929.72] |
|
| Cp,gas | 395.71 | J/mol×K | 687.55 | Joback Calculated Property |
| Cp,gas | 408.14 | J/mol×K | 727.91 | Joback Calculated Property |
| Cp,gas | 419.60 | J/mol×K | 768.27 | Joback Calculated Property |
| Cp,gas | 430.12 | J/mol×K | 808.64 | Joback Calculated Property |
| Cp,gas | 439.73 | J/mol×K | 849.00 | Joback Calculated Property |
| Cp,gas | 448.44 | J/mol×K | 889.36 | Joback Calculated Property |
| Cp,gas | 456.29 | J/mol×K | 929.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylpropionic acid, 4-nitrophenyl ester.
Sources
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