- InChI
- InChI=1S/C19H25NO5/c1-12(21)24-18(9-13-3-7-16(22)8-4-13)19(23)25-17-10-14-5-6-15(11-17)20(14)2/h3-4,7-8,14-15,17-18,22H,5-6,9-11H2,1-2H3
- InChI Key
- LDWBSZBICDWOCG-UHFFFAOYSA-N
- Formula
- C19H25NO5
- SMILES
-
CC(=O)OC(Cc1ccc(O)cc1)C(=O)OC1
CC2CCC(C1)N2C - Molecular Weight1
- 347.41
- 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 | 0.8404 | Relay (... Calculated Property | |
| ΔfG° | -305.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -846.44 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 124.50 | kJ/mol | Relay (... Calculated Property |
| IE | 7.55 | eV | Relay (... Calculated Property |
| log10WS | -1.66 | Relay (... Calculated Property | |
| logPoct/wat | 2.035 | Crippen Calculated Property | |
| McVol | 263.820 | ml/mol | McGowan Calculated Property |
| Pc | 1724.29 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2975.60; 2975.60] |
|
|
| Inp | 2975.60 | NIST | |
| Inp | 2975.60 | NIST | |
| Tboil | 666.79 | K | Relay (... Calculated Property |
| Tc | 947.50 | K | Relay (... Calculated Property |
| Tfus | 409.67 | K | Relay (... Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Tropanyl (2-acetoxy-3-(para-hydroxyphenyl)propanoate).
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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