- InChI
- InChI=1S/C10H19NO2/c1-3-4-9-5-6-10(13)7-11(9)8(2)12/h9-10,13H,3-7H2,1-2H3/t9-,10-/m1/s1
- InChI Key
- MMZIMNFISYOWRF-NXEZZACHSA-N
- Formula
- C10H19NO2
- SMILES
- CCCC1CCC(O)CN1C(C)=O
- Molecular Weight1
- 185.26
- CAS
- 54751-92-7
- 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).
- 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 | 0.6096 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -485.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.158 | Crippen Calculated Property | |
| McVol | 158.320 | ml/mol | McGowan Calculated Property |
| Pc | 2506.90 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 567.97 | K | Relay (1.0) Calculated Property |
| Tc | 765.17 | K | Relay (1.0) Calculated Property |
| Tfus | 335.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Piperidinol, 1-acetyl-6-propyl-, (3R-trans)-.
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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