- InChI
- InChI=1S/C19H19NO6/c1-13(2)11-25-18(21)16-5-3-4-6-17(16)19(22)26-12-14-7-9-15(10-8-14)20(23)24/h3-10,13H,11-12H2,1-2H3
- InChI Key
- YRTNMFOGUNBUGA-UHFFFAOYSA-N
- Formula
- C19H19NO6
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCc1c
cc([N+](=O)[O-])cc1 - Molecular Weight1
- 357.36
- 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° | -120.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.73 | Crippen Calculated Property | |
| logPoct/wat | 3.765 | Crippen Calculated Property | |
| McVol | 263.350 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Inp | [3245.00; 3245.00] |
|
|
| Inp | 3245.00 | NIST | |
| Inp | 3245.00 | NIST | |
| Tboil | 1001.42 | K | Joback Calculated Property |
| Tc | 1249.54 | K | Joback Calculated Property |
| Tfus | 654.70 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [818.60; 856.92] | J/mol×K | [1001.42; 1249.54] |
|
| Cp,gas | 818.60 | J/mol×K | 1001.42 | Joback Calculated Property |
| Cp,gas | 828.45 | J/mol×K | 1042.77 | Joback Calculated Property |
| Cp,gas | 836.86 | J/mol×K | 1084.13 | Joback Calculated Property |
| Cp,gas | 843.86 | J/mol×K | 1125.48 | Joback Calculated Property |
| Cp,gas | 849.51 | J/mol×K | 1166.83 | Joback Calculated Property |
| Cp,gas | 853.85 | J/mol×K | 1208.19 | Joback Calculated Property |
| Cp,gas | 856.92 | J/mol×K | 1249.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isobutyl 4-nitrobenzyl ester.
Sources
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