- InChI
- InChI=1S/C18H17NO6/c1-2-24-17(20)14-8-4-5-9-15(14)18(21)25-12-11-13-7-3-6-10-16(13)19(22)23/h3-10H,2,11-12H2,1H3
- InChI Key
- OEXKKYRNHNMOOZ-UHFFFAOYSA-N
- Formula
- C18H17NO6
- SMILES
-
CCOC(=O)c1ccccc1C(=O)OCCc1cccc
c1[N+](=O)[O-] - Molecular Weight1
- 343.33
- 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 | 0.9186 | Relay (... Calculated Property | |
| ΔfG° | -126.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.04 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.55 | kJ/mol | Relay (... Calculated Property |
| IE | 9.19 | eV | Relay (... Calculated Property |
| log10WS | -4.72 | Relay (... Calculated Property | |
| logPoct/wat | 3.171 | Crippen Calculated Property | |
| McVol | 249.260 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | 2669.00 | NIST | |
| Tboil | 665.06 | K | Relay (... Calculated Property |
| Tc | 948.23 | K | Relay (... Calculated Property |
| Tfus | 296.71 | K | Relay (... Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [760.93; 799.77] | J/mol×K | [978.98; 1226.15] | 
|
| Cp,gas | 760.93 | J/mol×K | 978.98 | Joback Calculated Property |
| Cp,gas | 770.73 | J/mol×K | 1020.17 | Joback Calculated Property |
| Cp,gas | 779.14 | J/mol×K | 1061.37 | Joback Calculated Property |
| Cp,gas | 786.21 | J/mol×K | 1102.56 | Joback Calculated Property |
| Cp,gas | 791.98 | J/mol×K | 1143.76 | Joback Calculated Property |
| Cp,gas | 796.49 | J/mol×K | 1184.95 | Joback Calculated Property |
| Cp,gas | 799.77 | J/mol×K | 1226.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, ethyl 2-(2-nitrophenyl)ethyl ester.
Sources
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