- InChI
- InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3
- InChI Key
- OWYLAEYXIQKAOL-UHFFFAOYSA-N
- Formula
- C17H25NO4
- SMILES
-
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(
OC)c1 - Molecular Weight1
- 307.38
- CAS
- 55837-25-7
- Other Names
-
- 1-Butanone, 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-
- 2',4',6'-Trimethoxy-4-(1-pyrrolidinyl)butyrophenone
- 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 | 0.8601 | Relay (1.0) Calculated Property | |
| ΔfG° | -160.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -572.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.771 | Crippen Calculated Property | |
| McVol | 244.930 | ml/mol | McGowan Calculated Property |
| Pc | 1488.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2388.00 | NIST | |
| Tboil | 646.88 | K | Relay (1.0) Calculated Property |
| Tc | 871.13 | K | Relay (1.0) Calculated Property |
| Tfus | 371.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Buflomedil.
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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