- InChI
- InChI=1S/C18H29NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6,11-16,20H,7-9H2,1-5H3/b10-6+
- InChI Key
- OIPVPSXURQHAAI-UXBLZVDNSA-N
- Formula
- C18H29NO5
- SMILES
-
CC=C(C)C(=O)OC1CC2C(O)C(OC(=O)
C(C)CC)C(C1)N2C - Molecular Weight1
- 339.43
- CAS
- 21030-85-3
- 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 | 0.7746 | Relay (1.0) Calculated Property | |
| ΔfG° | -365.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -981.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.660 | Crippen Calculated Property | |
| McVol | 269.190 | ml/mol | McGowan Calculated Property |
| Pc | 1320.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2299.00; 2299.00] |
|
|
| Inp | 2299.00 | NIST | |
| Inp | 2299.00 | NIST | |
| Tboil | 615.22 | K | Relay (1.0) Calculated Property |
| Tc | 876.63 | K | Relay (1.0) Calculated Property |
| Tfus | 412.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.970 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Tigloyloxy-6-isovaleroyloxy-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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