- InChI
- InChI=1S/C15H13NO5/c1-21-14(17)15(18,11-5-3-2-4-6-11)12-7-9-13(10-8-12)16(19)20/h2-10,18H,1H3
- InChI Key
- KJJUMKSGIKFVPJ-UHFFFAOYSA-N
- Formula
- C15H13NO5
- SMILES
-
COC(=O)C(O)(c1ccccc1)c1ccc([N+
](=O)[O-])cc1 - Molecular Weight1
- 287.27
- Other Names
-
- para-«alpha»-Hydroxymononitrodiphenylacetic acid, methyl ester
- 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° | -41.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.36 | Crippen Calculated Property | |
| logPoct/wat | 2.004 | Crippen Calculated Property | |
| McVol | 205.420 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Inp | [2261.00; 2285.00] |
|
|
| Inp | 2285.00 | NIST | |
| Inp | 2285.00 | NIST | |
| Inp | 2261.00 | NIST | |
| Tboil | 918.02 | K | Joback Calculated Property |
| Tc | 1166.36 | K | Joback Calculated Property |
| Tfus | 603.18 | K | Joback Calculated Property |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.17; 653.83] | J/mol×K | [918.02; 1166.36] |
|
| Cp,gas | 609.17 | J/mol×K | 918.02 | Joback Calculated Property |
| Cp,gas | 618.63 | J/mol×K | 959.41 | Joback Calculated Property |
| Cp,gas | 627.15 | J/mol×K | 1000.80 | Joback Calculated Property |
| Cp,gas | 634.83 | J/mol×K | 1042.19 | Joback Calculated Property |
| Cp,gas | 641.77 | J/mol×K | 1083.58 | Joback Calculated Property |
| Cp,gas | 648.07 | J/mol×K | 1124.97 | Joback Calculated Property |
| Cp,gas | 653.83 | J/mol×K | 1166.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenyl-4-nitrophenyl-hydroxyacetic acid, methyl ester.
Sources
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