- InChI
- InChI=1S/C15H27NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h9-13,17-18,20H,4-8H2,1-3H3
- InChI Key
- NMPPLGMVCCNRTJ-UHFFFAOYSA-N
- Formula
- C15H27NO5
- SMILES
-
CC(C)C(O)(C(=O)OCC1CCN2CCC(O)C
12)C(C)O - Molecular Weight1
- 301.38
- CAS
- 6029-84-1
- 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 | 0.9331 | Relay (1.0) Calculated Property | |
| ΔfG° | -457.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -941.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.247 | Crippen Calculated Property | |
| McVol | 235.520 | ml/mol | McGowan Calculated Property |
| Pc | 1604.24 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2150.00; 2155.00] |
|
|
| Inp | 2155.00 | NIST | |
| Inp | 2155.00 | NIST | |
| Inp | 2153.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Tboil | 616.35 | K | Relay (1.0) Calculated Property |
| Tc | 896.88 | K | Relay (1.0) Calculated Property |
| Tfus | 430.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.864 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Rinderine.
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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