- InChI
- InChI=1S/C17H27N3O4/c1-13-10-11-15(20-17(23)18(3)16(22)19(13)20)9-7-5-4-6-8-12-24-14(2)21/h10-11,13,15H,4-9,12H2,1-3H3
- InChI Key
- PMZMIFPAYRRFCE-UHFFFAOYSA-N
- Formula
- C17H27N3O4
- SMILES
-
CC(=O)OCCCCCCCC1C=CC(C)n2c(=O)
n(C)c(=O)n21 - Molecular Weight1
- 337.41
- 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 | 0.9013 | Relay (... Calculated Property | |
| ΔfG° | -20.78 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -707.81 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 111.78 | kJ/mol | Relay (... Calculated Property |
| IE | 7.76 | eV | Relay (... Calculated Property |
| log10WS | -2.94 | Relay (... Calculated Property | |
| logPoct/wat | 1.924 | Crippen Calculated Property | |
| McVol | 264.890 | ml/mol | McGowan Calculated Property |
| Pc | 1378.17 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2560.00; 2560.00] |
|
|
| Inp | 2560.00 | NIST | |
| Inp | 2560.00 | NIST | |
| Tboil | 646.52 | K | Relay (... Calculated Property |
| Tc | 888.65 | K | Relay (... Calculated Property |
| Tfus | 362.13 | K | Relay (... Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 8E,10E-Dodecadienyl acetate + MTAD adduct.
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
- McGowan Method
- NIST Webbook
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