- InChI
- InChI=1S/C18H23NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3
- InChI Key
- XCEPKQNOWNOSFH-UHFFFAOYSA-N
- Formula
- C18H23NO6
- SMILES
-
C=C1CC2(OC2C)C(=O)OC2CCN3CC=C(
COC(=O)C1(C)O)C23 - Molecular Weight1
- 349.38
- CAS
- 5532-23-0
- 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 | 0.6547 | Relay (... Calculated Property | |
| ΔfG° | -428.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -863.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 120.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.16 | eV | Relay (... Calculated Property |
| log10WS | -1.11 | Relay (... Calculated Property | |
| logPoct/wat | 0.324 | Crippen Calculated Property | |
| McVol | 249.040 | ml/mol | McGowan Calculated Property |
| Pc | 1233.00 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2460.00; 2466.00] |
|
|
| Inp | 2460.00 | NIST | |
| Inp | 2466.00 | NIST | |
| Tboil | 660.95 | K | Relay (... Calculated Property |
| Tc | 961.04 | K | Relay (... Calculated Property |
| Tfus | 447.82 | K | Relay (... Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Jacozine.
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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