- InChI
- InChI=1S/C13H10N2O4/c14-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)15(17)18/h1-8H,14H2
- InChI Key
- IFHJJPYCVMFLMB-UHFFFAOYSA-N
- Formula
- C13H10N2O4
- SMILES
-
Nc1ccccc1C(=O)Oc1ccc([N+](=O)[
O-])cc1 - Molecular Weight1
- 258.23
- CAS
- 19176-60-4
- 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).
- 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° | 132.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 2.396 | Crippen Calculated Property | |
| McVol | 181.350 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Tboil | 860.82 | K | Joback Calculated Property |
| Tc | 1131.64 | K | Joback Calculated Property |
| Tfus | 613.18 | K | Joback Calculated Property |
| Vc | 0.682 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.91; 553.18] | J/mol×K | [860.82; 1131.64] | 
|
| Cp,gas | 508.91 | J/mol×K | 860.82 | Joback Calculated Property |
| Cp,gas | 519.14 | J/mol×K | 905.96 | Joback Calculated Property |
| Cp,gas | 528.15 | J/mol×K | 951.09 | Joback Calculated Property |
| Cp,gas | 536.00 | J/mol×K | 996.23 | Joback Calculated Property |
| Cp,gas | 542.74 | J/mol×K | 1041.37 | Joback Calculated Property |
| Cp,gas | 548.45 | J/mol×K | 1086.50 | Joback Calculated Property |
| Cp,gas | 553.18 | J/mol×K | 1131.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrophenylanthranilate.
Sources
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