- InChI
- InChI=1S/C23H37NO7/c1-13(2)17-10-19(25)29-12-16-6-8-24-9-7-18(21(16)24)31-22(27)23(28,14(3)4)11-20(26)30-15(17)5/h13-18,21,28H,6-12H2,1-5H3/t15-,16+,17+,18+,21?,23-/m0/s1
- InChI Key
- IWRWQFWNXAFSBO-SMKAEANXSA-N
- Formula
- C23H37NO7
- SMILES
-
CC(C)C1CC(=O)OCC2CCN3CCC(OC(=O
)C(O)(C(C)C)CC(=O)OC1C)C23 - Molecular Weight1
- 439.54
- 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 | 0.8391 | Relay (1.0) Calculated Property | |
| ΔfG° | -576.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1409.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 138.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.920 | Crippen Calculated Property | |
| McVol | 340.520 | ml/mol | McGowan Calculated Property |
| Pc | 545.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2818.00 | NIST | |
| Tboil | 744.17 | K | Relay (1.0) Calculated Property |
| Tc | 1027.13 | K | Relay (1.0) Calculated Property |
| Tfus | 445.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.183 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Parsonsine.
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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