- InChI
- InChI=1S/C19H25NO3/c21-17-9-6-15(7-10-17)8-11-19(22)23-14-16-4-3-13-20-12-2-1-5-18(16)20/h6-11,16,18,21H,1-5,12-14H2/b11-8+/t16-,18?/m0/s1
- InChI Key
- IZIOGYPZZKPZLM-HHYPMDAHSA-N
- Formula
- C19H25NO3
- SMILES
-
O=C(C=Cc1ccc(O)cc1)OCC1CCCN2CC
CCC12 - Molecular Weight1
- 315.41
- 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 | 0.7754 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -455.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.213 | Crippen Calculated Property | |
| McVol | 252.080 | ml/mol | McGowan Calculated Property |
| Pc | 1887.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2860.00; 2860.00] |
|
|
| Inp | 2860.00 | NIST | |
| Inp | 2860.00 | NIST | |
| Inp | 2860.00 | NIST | |
| Tboil | 690.07 | K | Relay (1.0) Calculated Property |
| Tc | 952.38 | K | Relay (1.0) Calculated Property |
| Tfus | 431.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.854 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to p-Hydroxycinnamoyllupinine.
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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