- InChI
- InChI=1S/C19H25NO4/c1-4-5-7-16(20-11-6-8-18(20)22)19(23)15-10-9-13(2)17(12-15)24-14(3)21/h9-10,12,16H,4-8,11H2,1-3H3
- InChI Key
- RNFXXPRUCLOJKK-UHFFFAOYSA-N
- Formula
- C19H25NO4
- SMILES
-
CCCCC(C(=O)c1ccc(C)c(OC(C)=O)c
1)N1CCCC1=O - Molecular Weight1
- 331.41
- 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 | 0.8536 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -704.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.284 | Crippen Calculated Property | |
| McVol | 264.510 | ml/mol | McGowan Calculated Property |
| Pc | 1372.38 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2515.00 | NIST | |
| Tboil | 663.01 | K | Relay (1.0) Calculated Property |
| Tc | 906.85 | K | Relay (1.0) Calculated Property |
| Tfus | 351.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-HO-toluol-), AC.
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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