- InChI
- InChI=1S/C14H15NO4/c1-9(15-6-2-3-13(15)16)14(17)10-4-5-11-12(7-10)19-8-18-11/h4-5,7,9H,2-3,6,8H2,1H3
- InChI Key
- PMTXPXOBUUDUAJ-UHFFFAOYSA-N
- Formula
- C14H15NO4
- SMILES
-
CC(C(=O)c1ccc2c(c1)OCO2)N1CCCC
1=O - Molecular Weight1
- 261.27
- 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 | 0.6834 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -519.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.609 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2027.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2290.00; 2290.00] |
|
|
| Inp | 2290.00 | NIST | |
| Inp | 2290.00 | NIST | |
| Tboil | 639.04 | K | Relay (1.0) Calculated Property |
| Tc | 921.32 | K | Relay (1.0) Calculated Property |
| Tfus | 392.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (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
- McGowan Method
- NIST Webbook
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