- InChI
- InChI=1S/C25H41NO3/c1-4-7-9-10-11-12-13-18-29-25(28)23-17-14-16-22(19-23)24(27)26-20-21(6-3)15-8-5-2/h14,16-17,19,21H,4-13,15,18,20H2,1-3H3,(H,26,27)
- InChI Key
- GELHSZURGOKUJM-UHFFFAOYSA-N
- Formula
- C25H41NO3
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(O)=NCC
(CC)CCCC)c1 - Molecular Weight1
- 403.60
- 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 | 1.2568 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -795.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 134.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.115 | Crippen Calculated Property | |
| McVol | 358.340 | ml/mol | McGowan Calculated Property |
| Pc | 943.26 | kPa | Joback Calculated Property |
| Inp | [3225.00; 3225.00] |
|
|
| Inp | 3225.00 | NIST | |
| Inp | 3225.00 | NIST | |
| Tboil | 694.32 | K | Relay (1.0) Calculated Property |
| Tc | 908.79 | K | Relay (1.0) Calculated Property |
| Tfus | 334.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.301 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N-(2-ethylhexyl)-, nonyl 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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