- InChI
- InChI=1S/C26H33NO6/c1-2-3-4-5-6-7-8-13-19-32-25(28)22-15-10-11-16-23(22)26(29)33-20-18-21-14-9-12-17-24(21)27(30)31/h9-12,14-17H,2-8,13,18-20H2,1H3
- InChI Key
- MTXDHBGRHDPNLO-UHFFFAOYSA-N
- Formula
- C26H33NO6
- SMILES
-
CCCCCCCCCCOC(=O)c1ccccc1C(=O)O
CCc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 455.54
- 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° | -58.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -630.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.25 | kJ/mol | Joback Calculated Property |
| log10WS | -8.41 | Crippen Calculated Property | |
| logPoct/wat | 6.292 | Crippen Calculated Property | |
| McVol | 361.980 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Inp | 3447.00 | NIST | |
| Tboil | 1162.02 | K | Joback Calculated Property |
| Tc | 1423.06 | K | Joback Calculated Property |
| Tfus | 748.59 | K | Joback Calculated Property |
| Vc | 1.405 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1231.72; 1267.10] | J/mol×K | [1162.02; 1423.06] | 
|
| Cp,gas | 1231.72 | J/mol×K | 1162.02 | Joback Calculated Property |
| Cp,gas | 1241.52 | J/mol×K | 1205.53 | Joback Calculated Property |
| Cp,gas | 1249.63 | J/mol×K | 1249.03 | Joback Calculated Property |
| Cp,gas | 1256.15 | J/mol×K | 1292.54 | Joback Calculated Property |
| Cp,gas | 1261.17 | J/mol×K | 1336.05 | Joback Calculated Property |
| Cp,gas | 1264.79 | J/mol×K | 1379.56 | Joback Calculated Property |
| Cp,gas | 1267.10 | J/mol×K | 1423.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, decyl 2-(2-nitrophenyl)ethyl ester.
Sources
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