- InChI
- InChI=1S/C24H39NO3/c1-4-7-9-10-11-12-17-28-24(27)22-16-13-15-21(18-22)23(26)25-19-20(6-3)14-8-5-2/h13,15-16,18,20H,4-12,14,17,19H2,1-3H3,(H,25,26)
- InChI Key
- WCGZHZFNLDIYGD-UHFFFAOYSA-N
- Formula
- C24H39NO3
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(O)=NCC(
CC)CCCC)c1 - Molecular Weight1
- 389.57
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2211 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -774.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.725 | Crippen Calculated Property | |
| McVol | 344.250 | ml/mol | McGowan Calculated Property |
| Pc | 1001.44 | kPa | Joback Calculated Property |
| Inp | [3121.00; 3121.00] |
|
|
| Inp | 3121.00 | NIST | |
| Inp | 3121.00 | NIST | |
| Tboil | 687.62 | K | Relay (1.0) Calculated Property |
| Tc | 901.96 | K | Relay (1.0) Calculated Property |
| Tfus | 332.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.246 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N-(2-ethylhexyl)-, octyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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