- InChI
- InChI=1S/C22H35NO3/c1-4-7-9-10-15-26-22(25)20-14-11-13-19(16-20)21(24)23-17-18(6-3)12-8-5-2/h11,13-14,16,18H,4-10,12,15,17H2,1-3H3,(H,23,24)
- InChI Key
- MYRZZNBEOUZXJV-UHFFFAOYSA-N
- Formula
- C22H35NO3
- SMILES
-
CCCCCCOC(=O)c1cccc(C(O)=NCC(CC
)CCCC)c1 - Molecular Weight1
- 361.52
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -602.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.38 | Crippen Calculated Property | |
| logPoct/wat | 5.945 | Crippen Calculated Property | |
| McVol | 316.070 | ml/mol | McGowan Calculated Property |
| Pc | 1135.20 | kPa | Joback Calculated Property |
| Inp | [2903.00; 2903.00] |
|
|
| Inp | 2903.00 | NIST | |
| Inp | 2903.00 | NIST | |
| Tboil | 979.01 | K | Joback Calculated Property |
| Tc | 1198.66 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monoamide, N-(2-ethylhexyl)-, hexyl ester.
Sources
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