- InChI
- InChI=1S/C11H13NO4/c1-11(2,3)10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3
- InChI Key
- QADVJDGFQGNSIF-UHFFFAOYSA-N
- Formula
- C11H13NO4
- SMILES
-
CC(C)(C)C(=O)Oc1ccc([N+](=O)[O
-])cc1 - Molecular Weight1
- 223.23
- CAS
- 4195-17-9
- Other Names
-
- 2,2-Dimethylpropanoic acid, 4-nitrophenyl ester
- p-nitrophenyl pivalate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -51.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 166.950 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | 1602.00 | NIST | |
| Tboil | 707.64 | K | Joback Calculated Property |
| Tc | 953.76 | K | Joback Calculated Property |
| Tfus | 470.86 | K | Joback Calculated Property |
| Vc | 0.638 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.61; 512.13] | J/mol×K | [707.64; 953.76] | 
|
| Cp,gas | 448.61 | J/mol×K | 707.64 | Joback Calculated Property |
| Cp,gas | 461.74 | J/mol×K | 748.66 | Joback Calculated Property |
| Cp,gas | 473.77 | J/mol×K | 789.68 | Joback Calculated Property |
| Cp,gas | 484.76 | J/mol×K | 830.70 | Joback Calculated Property |
| Cp,gas | 494.78 | J/mol×K | 871.72 | Joback Calculated Property |
| Cp,gas | 503.88 | J/mol×K | 912.74 | Joback Calculated Property |
| Cp,gas | 512.13 | J/mol×K | 953.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dimethyl-, 4-nitrophenyl ester.
Sources
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