- InChI
- InChI=1S/C12H21NO3/c1-2-3-11(14)12(15)16-10-6-8-4-5-9(7-10)13-8/h8-11,13-14H,2-7H2,1H3/t8-,9+,10?,11?
- InChI Key
- JZUPZKQOYGESCW-IXBNRNDTSA-N
- Formula
- C12H21NO3
- SMILES
- CCCC(O)C(=O)OC1CC2CCC(C1)N2
- Molecular Weight1
- 227.30
- 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° | -145.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 0.974 | Crippen Calculated Property | |
| McVol | 181.510 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Inp | 1603.00 | NIST | |
| Tboil | 707.89 | K | Joback Calculated Property |
| Tc | 909.29 | K | Joback Calculated Property |
| Tfus | 472.61 | K | Joback Calculated Property |
| Vc | 0.678 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.57; 638.94] | J/mol×K | [707.89; 909.29] | 
|
| Cp,gas | 557.57 | J/mol×K | 707.89 | Joback Calculated Property |
| Cp,gas | 573.38 | J/mol×K | 741.46 | Joback Calculated Property |
| Cp,gas | 588.25 | J/mol×K | 775.02 | Joback Calculated Property |
| Cp,gas | 602.20 | J/mol×K | 808.59 | Joback Calculated Property |
| Cp,gas | 615.28 | J/mol×K | 842.16 | Joback Calculated Property |
| Cp,gas | 627.51 | J/mol×K | 875.72 | Joback Calculated Property |
| Cp,gas | 638.94 | J/mol×K | 909.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Hydroxypentanoyloxy)nortropane.
Sources
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