- InChI
- InChI=1S/C21H29NO5/c1-5-6-9-18(22-10-7-8-11-22)21(25)17-13-19(26-15(3)23)14(2)12-20(17)27-16(4)24/h12-13,18H,5-11H2,1-4H3
- InChI Key
- JUFGHRHVZXFOBJ-UHFFFAOYSA-N
- Formula
- C21H29NO5
- SMILES
-
CCCCC(C(=O)c1cc(OC(C)=O)c(C)cc
1OC(C)=O)N1CCCC1 - Molecular Weight1
- 375.46
- 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 | 0.9418 | Relay (... Calculated Property | |
| ΔfG° | -352.80 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -900.16 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.24 | kJ/mol | Relay (... Calculated Property |
| IE | 7.12 | eV | Relay (... Calculated Property |
| log10WS | -3.34 | Relay (... Calculated Property | |
| logPoct/wat | 3.683 | Crippen Calculated Property | |
| McVol | 298.560 | ml/mol | McGowan Calculated Property |
| Pc | 1127.07 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2595.00; 2600.00] |
|
|
| Inp | 2595.00 | NIST | |
| Inp | 2595.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Tboil | 659.96 | K | Relay (... Calculated Property |
| Tc | 894.87 | K | Relay (... Calculated Property |
| Tfus | 367.99 | K | Relay (... Calculated Property |
| Vc | 1.084 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (di-HO-), 2AC.
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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