- InChI
- InChI=1S/C19H37NO3/c1-4-5-6-7-8-9-10-11-12-13-16-23-18(21)14-15-20-19(22)17(2)3/h17H,4-16H2,1-3H3,(H,20,22)
- InChI Key
- FRHKQFCECXOUNC-UHFFFAOYSA-N
- Formula
- C19H37NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CCN=C(O)C(C)
C - Molecular Weight1
- 327.50
- 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 | 1.1051 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -875.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.453 | Crippen Calculated Property | |
| McVol | 297.560 | ml/mol | McGowan Calculated Property |
| Pc | 1114.08 | kPa | Joback Calculated Property |
| Inp | [2428.00; 2428.00] |
|
|
| Inp | 2428.00 | NIST | |
| Inp | 2428.00 | NIST | |
| Tboil | 617.00 | K | Relay (1.0) Calculated Property |
| Tc | 809.74 | K | Relay (1.0) Calculated Property |
| Tfus | 355.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.126 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, dodecyl 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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