- InChI
- InChI=1S/C18H27NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-5,14-16,20H,6-11H2,1-3H3/b12-4+,13-5-/t14-,15-,16?/m0/s1
- InChI Key
- YMUQRQKYYOWGPN-CSFHJDIRSA-N
- Formula
- C18H27NO5
- SMILES
-
CC=C(C)C(=O)OC1CCN2CCC(COC(=O)
C(=CC)CO)C12 - Molecular Weight1
- 337.41
- 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 | 0.8813 | Relay (1.0) Calculated Property | |
| ΔfG° | -301.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -849.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.440 | Crippen Calculated Property | |
| McVol | 264.890 | ml/mol | McGowan Calculated Property |
| Pc | 1337.54 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2410.00; 2410.00] |
|
|
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Tboil | 642.75 | K | Relay (1.0) Calculated Property |
| Tc | 904.97 | K | Relay (1.0) Calculated Property |
| Tfus | 394.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.923 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Sarranicine.
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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