- InChI
- InChI=1S/C23H26N2O8/c1-3-4-5-6-9-12-32-22(26)18-10-7-8-11-19(18)23(27)33-15-17-13-20(24(28)29)16(2)21(14-17)25(30)31/h7-8,10-11,13-14H,3-6,9,12,15H2,1-2H3
- InChI Key
- SDLCYSOEPDRZQE-UHFFFAOYSA-N
- Formula
- C23H26N2O8
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCc1
cc([N+](=O)[O-])c(C)c([N+](=O) [O-])c1 - Molecular Weight1
- 458.46
- 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).
- 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° | -67.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.49 | kJ/mol | Joback Calculated Property |
| log10WS | -8.36 | Crippen Calculated Property | |
| logPoct/wat | 5.296 | Crippen Calculated Property | |
| McVol | 337.130 | ml/mol | McGowan Calculated Property |
| Pc | 1363.65 | kPa | Joback Calculated Property |
| Tboil | 1255.18 | K | Joback Calculated Property |
| Tc | 1536.88 | K | Joback Calculated Property |
| Tfus | 883.43 | K | Joback Calculated Property |
| Vc | 1.319 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1114.80; 1125.30] | J/mol×K | [1255.18; 1536.88] | 
|
| Cp,gas | 1120.02 | J/mol×K | 1255.18 | Joback Calculated Property |
| Cp,gas | 1123.61 | J/mol×K | 1302.13 | Joback Calculated Property |
| Cp,gas | 1125.30 | J/mol×K | 1349.08 | Joback Calculated Property |
| Cp,gas | 1125.19 | J/mol×K | 1396.03 | Joback Calculated Property |
| Cp,gas | 1123.35 | J/mol×K | 1442.98 | Joback Calculated Property |
| Cp,gas | 1119.87 | J/mol×K | 1489.93 | Joback Calculated Property |
| Cp,gas | 1114.80 | J/mol×K | 1536.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3,5-dinitro-4-methylbenzyl heptyl ester.
Sources
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