![Irgacure 369 (2-Benzyl-2-(dimethylamino)-1-[4-(morpholinyl) phenyl)]-1-butanone)](/cid/20-849-7/Irgacure-369-2-Benzyl-2-dimethylamino-1-4-morpholinyl-phenyl-1-butanone.png "Irgacure 369 (2-Benzyl-2-(dimethylamino)-1-[4-(morpholinyl) phenyl)]-1-butanone)")
- InChI
- InChI=1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
- InChI Key
- UHFFVFAKEGKNAQ-UHFFFAOYSA-N
- Formula
- C23H30N2O2
- SMILES
-
CCC(Cc1ccccc1)(C(=O)c1ccc(N2CC
OCC2)cc1)N(C)C - Molecular Weight1
- 366.50
- 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 | 0.7366 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -101.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.659 | Crippen Calculated Property | |
| McVol | 303.950 | ml/mol | McGowan Calculated Property |
| Pc | 995.20 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3112.00 | NIST | |
| Tboil | 712.77 | K | Relay (1.0) Calculated Property |
| Tc | 974.84 | K | Relay (1.0) Calculated Property |
| Tfus | 391.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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