- InChI
- InChI=1S/C17H11NO4/c19-17(22-14-10-8-13(9-11-14)18(20)21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
- InChI Key
- LFZNDEUETPVUAT-UHFFFAOYSA-N
- Formula
- C17H11NO4
- SMILES
-
O=C(Oc1ccc([N+](=O)[O-])cc1)c1
cccc2ccccc12 - Molecular Weight1
- 293.27
- 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° | 206.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.70 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 3.967 | Crippen Calculated Property | |
| McVol | 208.270 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Inp | [2686.00; 2686.00] |
|
|
| Inp | 2686.00 | NIST | |
| Inp | 2686.00 | NIST | |
| Tboil | 898.79 | K | Joback Calculated Property |
| Tc | 1171.23 | K | Joback Calculated Property |
| Tfus | 607.70 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.90; 645.83] | J/mol×K | [898.79; 1171.23] |
|
| Cp,gas | 592.90 | J/mol×K | 898.79 | Joback Calculated Property |
| Cp,gas | 604.02 | J/mol×K | 944.20 | Joback Calculated Property |
| Cp,gas | 614.05 | J/mol×K | 989.60 | Joback Calculated Property |
| Cp,gas | 623.12 | J/mol×K | 1035.01 | Joback Calculated Property |
| Cp,gas | 631.35 | J/mol×K | 1080.42 | Joback Calculated Property |
| Cp,gas | 638.88 | J/mol×K | 1125.82 | Joback Calculated Property |
| Cp,gas | 645.83 | J/mol×K | 1171.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 4-nitrophenyl ester.
Sources
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