- InChI
- InChI=1S/C14H17NO3/c1-10(15-6-2-3-7-15)14(16)11-4-5-12-13(8-11)18-9-17-12/h4-5,8,10H,2-3,6-7,9H2,1H3
- InChI Key
- NIYQOTCYXGXMPI-UHFFFAOYSA-N
- Formula
- C14H17NO3
- SMILES
-
CC(C(=O)c1ccc2c(c1)OCO2)N1CCCC
1 - Molecular Weight1
- 247.29
- CAS
- 24698-57-5
- Other Names
-
- 3',4'-Methylenedioxy-a-pyrrolidinopropiophenone
- R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone
- 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 | 0.6283 | Relay (1.0) Calculated Property | |
| ΔfG° | -75.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -365.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.082 | Crippen Calculated Property | |
| McVol | 185.930 | ml/mol | McGowan Calculated Property |
| Pc | 1973.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1995.00; 1995.00] |
|
|
| Inp | 1995.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Tboil | 607.87 | K | Relay (1.0) Calculated Property |
| Tc | 863.20 | K | Relay (1.0) Calculated Property |
| Tfus | 384.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to MDPPP.
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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