- InChI
- InChI=1S/C18H23NO5/c1-4-11-9-17(2)18(3,24-17)16(21)22-10-12-5-7-19-8-6-13(14(12)19)23-15(11)20/h4-5,13-14H,6-10H2,1-3H3/b11-4-/t13-,14-,17+,18+/m0/s1
- InChI Key
- XYLHTQLSMWVEML-LCLHOKOMSA-N
- Formula
- C18H23NO5
- SMILES
-
CC=C1CC2(C)OC2(C)C(=O)OCC2=CCN
3CCC(OC1=O)C23 - Molecular Weight1
- 333.38
- 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 | 0.5404 | Relay (... Calculated Property | |
| ΔfG° | -308.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -705.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 114.35 | kJ/mol | Relay (... Calculated Property |
| IE | 7.90 | eV | Relay (... Calculated Property |
| log10WS | -1.77 | Relay (... Calculated Property | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 243.170 | ml/mol | McGowan Calculated Property |
| Pc | 1500.65 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2542.00 | NIST | |
| Tboil | 657.69 | K | Relay (... Calculated Property |
| Tc | 928.54 | K | Relay (... Calculated Property |
| Tfus | 458.65 | K | Relay (... Calculated Property |
| Vc | 0.890 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Erucifoline.
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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