- InChI
- InChI=1S/C18H32N2O4/c1-11(2)13(21)17(5,6)15(23)19-9-10-20-16(24)18(7,8)14(22)12(3)4/h11-12H,9-10H2,1-8H3,(H,19,23)(H,20,24)
- InChI Key
- OAFTUJVCHZBHJF-UHFFFAOYSA-N
- Formula
- C18H32N2O4
- SMILES
-
CC(C)C(=O)C(C)(C)C(O)=NCCN=C(O
)C(C)(C)C(=O)C(C)C - Molecular Weight1
- 340.46
- CAS
- 73840-20-7
- 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).
- 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 | 0.9570 | Relay (... Calculated Property | |
| ΔfG° | -177.77 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -913.94 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 111.17 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -2.71 | Relay (... Calculated Property | |
| logPoct/wat | 3.402 | Crippen Calculated Property | |
| McVol | 290.720 | ml/mol | McGowan Calculated Property |
| Pc | 1292.07 | kPa | Joback Calculated Property |
| Tboil | 604.45 | K | Relay (... Calculated Property |
| Tc | 849.40 | K | Relay (... Calculated Property |
| Tfus | 403.77 | K | Relay (... Calculated Property |
| Vc | 1.030 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Valeramide, n,n'-ethylene-bis(2,2,4-trimethyl-3-oxo)-.
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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