- InChI
- InChI=1S/C11H19NO3/c1-2-3-11(14)15-10-5-7-4-8(13)6-9(10)12-7/h7-10,12-13H,2-6H2,1H3/t7-,8?,9+,10?/m0/s1
- InChI Key
- XYVUORHYOWDSSK-QGVKSAJWSA-N
- Formula
- C11H19NO3
- SMILES
- CCCC(=O)OC1CC2CC(O)CC1N2
- Molecular Weight1
- 213.27
- 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° | -159.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.23 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 0.584 | Crippen Calculated Property | |
| McVol | 167.420 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Inp | 1632.00 | NIST | |
| Tboil | 680.78 | K | Joback Calculated Property |
| Tc | 880.99 | K | Joback Calculated Property |
| Tfus | 472.10 | K | Joback Calculated Property |
| Vc | 0.627 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.76; 586.27] | J/mol×K | [680.78; 880.99] | 
|
| Cp,gas | 505.76 | J/mol×K | 680.78 | Joback Calculated Property |
| Cp,gas | 521.35 | J/mol×K | 714.15 | Joback Calculated Property |
| Cp,gas | 536.03 | J/mol×K | 747.52 | Joback Calculated Property |
| Cp,gas | 549.84 | J/mol×K | 780.88 | Joback Calculated Property |
| Cp,gas | 562.80 | J/mol×K | 814.25 | Joback Calculated Property |
| Cp,gas | 574.94 | J/mol×K | 847.62 | Joback Calculated Property |
| Cp,gas | 586.27 | J/mol×K | 880.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Butyroxynortropan-3-ol.
Sources
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