- InChI
- InChI=1S/C15H12N2O7/c1-24-14(18)15(19,10-2-6-12(7-3-10)16(20)21)11-4-8-13(9-5-11)17(22)23/h2-9,19H,1H3
- InChI Key
- NLIGJKPJSALUSB-UHFFFAOYSA-N
- Formula
- C15H12N2O7
- SMILES
-
COC(=O)C(O)(c1ccc([N+](=O)[O-]
)cc1)c1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 332.26
- Other Names
-
- para,para'-«alpha»-Hydroxydinitrodiphenylacetic acid, methyl ester
- 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 | 0.9932 | Relay (1.0) Calculated Property | |
| ΔfG° | -15.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.912 | Crippen Calculated Property | |
| McVol | 222.840 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Inp | [2732.00; 2750.00] |
|
|
| Inp | 2732.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Tboil | 622.74 | K | Relay (1.0) Calculated Property |
| Tc | 1002.15 | K | Relay (1.0) Calculated Property |
| Tfus | 382.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.54; 714.85] | J/mol×K | [1074.84; 1340.57] |
|
| Cp,gas | 683.54 | J/mol×K | 1074.84 | Joback Calculated Property |
| Cp,gas | 690.24 | J/mol×K | 1119.13 | Joback Calculated Property |
| Cp,gas | 696.19 | J/mol×K | 1163.42 | Joback Calculated Property |
| Cp,gas | 701.51 | J/mol×K | 1207.71 | Joback Calculated Property |
| Cp,gas | 706.32 | J/mol×K | 1252.00 | Joback Calculated Property |
| Cp,gas | 710.72 | J/mol×K | 1296.29 | Joback Calculated Property |
| Cp,gas | 714.85 | J/mol×K | 1340.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to bis-(4-Nitrophenyl)-hydroxyacetic acid, methyl ester.
Sources
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