- InChI
- InChI=1S/C24H29NO6/c1-2-3-4-5-6-11-17-30-23(26)20-13-8-9-14-21(20)24(27)31-18-16-19-12-7-10-15-22(19)25(28)29/h7-10,12-15H,2-6,11,16-18H2,1H3
- InChI Key
- BLMDZKJOWYNUFM-UHFFFAOYSA-N
- Formula
- C24H29NO6
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCC
c1ccccc1[N+](=O)[O-] - Molecular Weight1
- 427.49
- 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° | -75.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.80 | kJ/mol | Joback Calculated Property |
| log10WS | -7.57 | Crippen Calculated Property | |
| logPoct/wat | 5.512 | Crippen Calculated Property | |
| McVol | 333.800 | ml/mol | McGowan Calculated Property |
| Pc | 1288.36 | kPa | Joback Calculated Property |
| Inp | 3245.00 | NIST | |
| Tboil | 1116.26 | K | Joback Calculated Property |
| Tc | 1367.44 | K | Joback Calculated Property |
| Tfus | 726.05 | K | Joback Calculated Property |
| Vc | 1.294 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1111.69; 1148.51] | J/mol×K | [1116.26; 1367.44] | 
|
| Cp,gas | 1111.69 | J/mol×K | 1116.26 | Joback Calculated Property |
| Cp,gas | 1121.49 | J/mol×K | 1158.12 | Joback Calculated Property |
| Cp,gas | 1129.73 | J/mol×K | 1199.99 | Joback Calculated Property |
| Cp,gas | 1136.48 | J/mol×K | 1241.85 | Joback Calculated Property |
| Cp,gas | 1141.80 | J/mol×K | 1283.71 | Joback Calculated Property |
| Cp,gas | 1145.79 | J/mol×K | 1325.58 | Joback Calculated Property |
| Cp,gas | 1148.51 | J/mol×K | 1367.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(2-nitrophenyl)ethyl octyl ester.
Sources
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