- InChI
- InChI=1S/C18H27NO3/c1-4-7-9-14(5-2)13-19-17(20)15-10-8-11-16(12-15)18(21)22-6-3/h8,10-12,14H,4-7,9,13H2,1-3H3,(H,19,20)
- InChI Key
- YRSQTDDUMGEGHQ-UHFFFAOYSA-N
- Formula
- C18H27NO3
- SMILES
-
CCCCC(CC)CN=C(O)c1cccc(C(=O)OC
C)c1 - Molecular Weight1
- 305.41
- 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 | 0.9924 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -647.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.384 | Crippen Calculated Property | |
| McVol | 259.710 | ml/mol | McGowan Calculated Property |
| Pc | 1497.67 | kPa | Joback Calculated Property |
| Inp | [2496.00; 2496.00] |
|
|
| Inp | 2496.00 | NIST | |
| Inp | 2496.00 | NIST | |
| Tboil | 645.58 | K | Relay (1.0) Calculated Property |
| Tc | 852.31 | K | Relay (1.0) Calculated Property |
| Tfus | 333.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.921 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N-(2-ethylhexyl)-, ethyl 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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