- InChI
- InChI=1S/C23H37NO3/c1-4-7-9-10-11-16-27-23(26)21-15-12-14-20(17-21)22(25)24-18-19(6-3)13-8-5-2/h12,14-15,17,19H,4-11,13,16,18H2,1-3H3,(H,24,25)
- InChI Key
- AQJOVJGOVMSIKT-UHFFFAOYSA-N
- Formula
- C23H37NO3
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(O)=NCC(C
C)CCCC)c1 - Molecular Weight1
- 375.54
- 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 | 1.1852 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -753.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.335 | Crippen Calculated Property | |
| McVol | 330.160 | ml/mol | McGowan Calculated Property |
| Pc | 1065.18 | kPa | Joback Calculated Property |
| Inp | [3018.00; 3018.00] |
|
|
| Inp | 3018.00 | NIST | |
| Inp | 3018.00 | NIST | |
| Tboil | 680.87 | K | Relay (1.0) Calculated Property |
| Tc | 894.88 | K | Relay (1.0) Calculated Property |
| Tfus | 331.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N-(2-ethylhexyl)-, 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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