- InChI
- InChI=1S/C23H27NO6/c1-2-3-4-5-6-9-16-29-22(25)20-10-7-8-11-21(20)23(26)30-17-18-12-14-19(15-13-18)24(27)28/h7-8,10-15H,2-6,9,16-17H2,1H3
- InChI Key
- IOCNSAKGOYQGMI-UHFFFAOYSA-N
- Formula
- C23H27NO6
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc
1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 413.46
- 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° | -83.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.57 | kJ/mol | Joback Calculated Property |
| log10WS | -7.65 | Crippen Calculated Property | |
| logPoct/wat | 5.469 | Crippen Calculated Property | |
| McVol | 319.710 | ml/mol | McGowan Calculated Property |
| Pc | 1381.96 | kPa | Joback Calculated Property |
| Inp | [3753.00; 3753.00] |
|
|
| Inp | 3753.00 | NIST | |
| Inp | 3753.00 | NIST | |
| Tboil | 1093.38 | K | Joback Calculated Property |
| Tc | 1341.38 | K | Joback Calculated Property |
| Tfus | 714.78 | K | Joback Calculated Property |
| Vc | 1.238 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1052.16; 1089.60] | J/mol×K | [1093.38; 1341.38] |
|
| Cp,gas | 1052.16 | J/mol×K | 1093.38 | Joback Calculated Property |
| Cp,gas | 1061.98 | J/mol×K | 1134.71 | Joback Calculated Property |
| Cp,gas | 1070.28 | J/mol×K | 1176.05 | Joback Calculated Property |
| Cp,gas | 1077.12 | J/mol×K | 1217.38 | Joback Calculated Property |
| Cp,gas | 1082.58 | J/mol×K | 1258.71 | Joback Calculated Property |
| Cp,gas | 1086.72 | J/mol×K | 1300.04 | Joback Calculated Property |
| Cp,gas | 1089.60 | J/mol×K | 1341.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 4-nitrobenzyl octyl ester.
Sources
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