- InChI
- InChI=1S/C11H19NO2/c1-2-3-11(13)14-10-6-8-4-5-9(7-10)12-8/h8-10,12H,2-7H2,1H3/t8-,9+,10+
- InChI Key
- NXBJEYZOFCMPDB-MYJAWHEDSA-N
- Formula
- C11H19NO2
- SMILES
- CCCC(=O)OC1CC2CCC(C1)N2
- Molecular Weight1
- 197.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -14.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 1.613 | Crippen Calculated Property | |
| McVol | 161.550 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Inp | 1435.00 | NIST | |
| Tboil | 593.27 | K | Joback Calculated Property |
| Tc | 807.28 | K | Joback Calculated Property |
| Tfus | 415.52 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.78; 536.27] | J/mol×K | [593.27; 807.28] | 
|
| Cp,gas | 439.78 | J/mol×K | 593.27 | Joback Calculated Property |
| Cp,gas | 458.44 | J/mol×K | 628.94 | Joback Calculated Property |
| Cp,gas | 476.02 | J/mol×K | 664.61 | Joback Calculated Property |
| Cp,gas | 492.56 | J/mol×K | 700.28 | Joback Calculated Property |
| Cp,gas | 508.09 | J/mol×K | 735.95 | Joback Calculated Property |
| Cp,gas | 522.64 | J/mol×K | 771.62 | Joback Calculated Property |
| Cp,gas | 536.27 | J/mol×K | 807.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»-n-Butyroxynortropane.
Sources
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