- InChI
- InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3
- InChI Key
- JEIZLWNUBXHADF-UHFFFAOYSA-N
- Formula
- C8H15NO
- SMILES
- CC(=O)CC1CCCCN1
- Molecular Weight1
- 141.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -0.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.33 | kJ/mol | Joback Calculated Property |
| log10WS | -0.45 | Aq. Sol... | |
| logPoct/wat | 1.108 | Crippen Calculated Property | |
| McVol | 124.270 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Tboil | 504.41 | K | Joback Calculated Property |
| Tc | 723.81 | K | Joback Calculated Property |
| Tfus | 342.26 | K | Joback Calculated Property |
| Vc | 0.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.80; 368.73] | J/mol×K | [504.41; 723.81] | 
|
| Cp,gas | 281.80 | J/mol×K | 504.41 | Joback Calculated Property |
| Cp,gas | 298.44 | J/mol×K | 540.98 | Joback Calculated Property |
| Cp,gas | 314.20 | J/mol×K | 577.54 | Joback Calculated Property |
| Cp,gas | 329.09 | J/mol×K | 614.11 | Joback Calculated Property |
| Cp,gas | 343.13 | J/mol×K | 650.68 | Joback Calculated Property |
| Cp,gas | 356.34 | J/mol×K | 687.24 | Joback Calculated Property |
| Cp,gas | 368.73 | J/mol×K | 723.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to pelletierine.
Sources
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