- InChI
- InChI=1S/C15H14N2O4/c18-15(21-11-10-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)17(19)20/h1-9H,10-11H2,(H,16,18)
- InChI Key
- PSODNDPTSGGTNE-UHFFFAOYSA-N
- Formula
- C15H14N2O4
- SMILES
-
O=C(Nc1ccccc1[N+](=O)[O-])OCCc
1ccccc1 - Molecular Weight1
- 286.28
- CAS
- 93733-82-5
- 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).
- 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 | 0.8048 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.386 | Crippen Calculated Property | |
| McVol | 209.530 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Tboil | 640.00 | K | Relay (1.0) Calculated Property |
| Tc | 971.03 | K | Relay (1.0) Calculated Property |
| Tfus | 337.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.741 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.17; 665.93] | J/mol×K | [879.24; 1131.87] | 
|
| Cp,gas | 614.17 | J/mol×K | 879.24 | Joback Calculated Property |
| Cp,gas | 625.59 | J/mol×K | 921.34 | Joback Calculated Property |
| Cp,gas | 635.81 | J/mol×K | 963.45 | Joback Calculated Property |
| Cp,gas | 644.87 | J/mol×K | 1005.55 | Joback Calculated Property |
| Cp,gas | 652.87 | J/mol×K | 1047.66 | Joback Calculated Property |
| Cp,gas | 659.86 | J/mol×K | 1089.76 | Joback Calculated Property |
| Cp,gas | 665.93 | J/mol×K | 1131.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, phenethyl ester.
Sources
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