- InChI
- InChI=1S/C18H27NO4/c1-5-12(3)17(20)22-11-14-7-9-19-10-8-15(16(14)19)23-18(21)13(4)6-2/h6-7,12,15-16H,5,8-11H2,1-4H3/b13-6+/t12?,15-,16+/m1/s1
- InChI Key
- HCWYTYBGRVJHCP-HCEHKAJUSA-N
- Formula
- C18H27NO4
- SMILES
-
CC=C(C)C(=O)OC1CCN2CC=C(COC(=O
)C(C)CC)C12 - Molecular Weight1
- 321.41
- 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 | 0.6640 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -678.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.468 | Crippen Calculated Property | |
| McVol | 259.020 | ml/mol | McGowan Calculated Property |
| Pc | 1364.80 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2183.00 | NIST | |
| Tboil | 592.67 | K | Relay (1.0) Calculated Property |
| Tc | 829.41 | K | Relay (1.0) Calculated Property |
| Tfus | 351.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.923 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7-Angeloyl-9-(2-methylbutyryl)heliotridine.
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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