- InChI
- InChI=1S/C18H29NO3S/c1-2-3-4-5-6-7-8-9-14-22-17(20)12-13-19-18(21)16-11-10-15-23-16/h10-11,15H,2-9,12-14H2,1H3,(H,19,21)
- InChI Key
- VZABURUEAUKFMY-UHFFFAOYSA-N
- Formula
- C18H29NO3S
- SMILES
-
CCCCCCCCCCOC(=O)CCNC(=O)c1cccs
1 - Molecular Weight1
- 339.49
- 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 | 0.9683 | Relay (1.0) Calculated Property | |
| ΔfG° | -128.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -650.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.552 | Crippen Calculated Property | |
| McVol | 280.360 | ml/mol | McGowan Calculated Property |
| Pc | 1459.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2757.00 | NIST | |
| Tboil | 651.92 | K | Relay (1.0) Calculated Property |
| Tc | 870.17 | K | Relay (1.0) Calculated Property |
| Tfus | 335.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.034 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(thiophene-2-carbonyl)-, decyl 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
- McGowan Method
- NIST Webbook
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