- InChI
- InChI=1S/C19H29NO3/c1-4-7-9-15(6-3)14-20-18(21)16-10-8-11-17(13-16)19(22)23-12-5-2/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,20,21)
- InChI Key
- QVGYMELIPQEEGU-UHFFFAOYSA-N
- Formula
- C19H29NO3
- SMILES
-
CCCCC(CC)CN=C(O)c1cccc(C(=O)OC
CC)c1 - Molecular Weight1
- 319.44
- 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 | 1.0377 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -668.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.774 | Crippen Calculated Property | |
| McVol | 273.800 | ml/mol | McGowan Calculated Property |
| Pc | 1392.29 | kPa | Joback Calculated Property |
| Inp | [2598.00; 2598.00] |
|
|
| Inp | 2598.00 | NIST | |
| Inp | 2598.00 | NIST | |
| Tboil | 654.76 | K | Relay (1.0) Calculated Property |
| Tc | 861.85 | K | Relay (1.0) Calculated Property |
| Tfus | 331.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N-(2-ethylhexyl)-, propyl 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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