- InChI
- InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-9-15-24-19(22)13-14-21-20(23)18-12-10-11-17(2)16-18/h10-12,16H,3-9,13-15H2,1-2H3,(H,21,23)
- InChI Key
- MWNDNIZWWQPUSM-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CCCCCCCCCOC(=O)CCN=C(O)c1cccc(
C)c1 - Molecular Weight1
- 333.46
- 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 | 1.1117 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -669.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 129.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.984 | Crippen Calculated Property | |
| McVol | 287.890 | ml/mol | McGowan Calculated Property |
| Pc | 1290.21 | kPa | Joback Calculated Property |
| Inp | [2722.00; 2722.00] |
|
|
| Inp | 2722.00 | NIST | |
| Inp | 2722.00 | NIST | |
| Tboil | 667.00 | K | Relay (1.0) Calculated Property |
| Tc | 878.87 | K | Relay (1.0) Calculated Property |
| Tfus | 347.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.057 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-methylbenzoyl)-, nonyl ester.
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
- Joback Method
- McGowan Method
- NIST Webbook
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