- InChI
- InChI=1S/C16H25NO5/c1-5-9(3)16(20)21-10-7-11-14(19)15(22-13(18)6-2)12(8-10)17(11)4/h5,10-12,14-15,19H,6-8H2,1-4H3/b9-5+
- InChI Key
- HGOLJZZEGFBRMR-WEVVVXLNSA-N
- Formula
- C16H25NO5
- SMILES
-
CC=C(C)C(=O)OC1CC2C(O)C(OC(=O)
CC)C(C1)N2C - Molecular Weight1
- 311.37
- CAS
- 872205-33-9
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7411 | Relay (... Calculated Property | |
| ΔfG° | -376.22 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -923.77 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.53 | eV | Relay (... Calculated Property |
| log10WS | -1.50 | Relay (... Calculated Property | |
| logPoct/wat | 1.023 | Crippen Calculated Property | |
| McVol | 241.010 | ml/mol | McGowan Calculated Property |
| Pc | 1545.32 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1985.80; 1985.80] |
|
|
| Inp | 1985.80 | NIST | |
| Inp | 1985.80 | NIST | |
| Tboil | 608.78 | K | Relay (... Calculated Property |
| Tc | 860.87 | K | Relay (... Calculated Property |
| Tfus | 415.46 | K | Relay (... Calculated Property |
| Vc | 0.873 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Tigloyloxy-6-propionyloxy-7-hydroxytropane.
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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