- InChI
- InChI=1S/C22H27NO3/c1-3-4-5-6-7-14-26-22(25)19-12-9-11-18(16-19)21(24)23-20-13-8-10-17(2)15-20/h8-13,15-16H,3-7,14H2,1-2H3,(H,23,24)
- InChI Key
- DULWEOAFDUOKGN-UHFFFAOYSA-N
- Formula
- C22H27NO3
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(O)=Nc2cc
cc(C)c2)c1 - Molecular Weight1
- 353.45
- 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 | 1.1238 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -484.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.759 | Crippen Calculated Property | |
| McVol | 292.310 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | [3191.00; 3191.00] |
|
|
| Inp | 3191.00 | NIST | |
| Inp | 3191.00 | NIST | |
| Tboil | 692.21 | K | Relay (1.0) Calculated Property |
| Tc | 957.55 | K | Relay (1.0) Calculated Property |
| Tfus | 379.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N-(3-methylphenyl)-, heptyl 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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