- InChI
- InChI=1S/C20H21NO6/c1-2-3-6-13-26-19(22)15-9-11-16(12-10-15)20(23)27-14-17-7-4-5-8-18(17)21(24)25/h4-5,7-12H,2-3,6,13-14H2,1H3
- InChI Key
- BDYOUEYLEHVQTA-UHFFFAOYSA-N
- Formula
- C20H21NO6
- SMILES
-
CCCCCOC(=O)c1ccc(C(=O)OCc2cccc
c2[N+](=O)[O-])cc1 - Molecular Weight1
- 371.38
- 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° | -109.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.89 | kJ/mol | Joback Calculated Property |
| log10WS | -6.39 | Crippen Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 277.440 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | [2680.00; 2680.00] |
|
|
| Inp | 2680.00 | NIST | |
| Inp | 2680.00 | NIST | |
| Tboil | 1024.74 | K | Joback Calculated Property |
| Tc | 1269.43 | K | Joback Calculated Property |
| Tfus | 680.97 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [875.97; 914.67] | J/mol×K | [1024.74; 1269.43] |
|
| Cp,gas | 875.97 | J/mol×K | 1024.74 | Joback Calculated Property |
| Cp,gas | 885.81 | J/mol×K | 1065.52 | Joback Calculated Property |
| Cp,gas | 894.23 | J/mol×K | 1106.30 | Joback Calculated Property |
| Cp,gas | 901.28 | J/mol×K | 1147.09 | Joback Calculated Property |
| Cp,gas | 907.01 | J/mol×K | 1187.87 | Joback Calculated Property |
| Cp,gas | 911.45 | J/mol×K | 1228.65 | Joback Calculated Property |
| Cp,gas | 914.67 | J/mol×K | 1269.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-nitrobenzyl pentyl ester.
Sources
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