- InChI
- InChI=1S/C21H33NO3S/c1-2-3-4-5-6-7-8-9-10-16-25-21(24)18-13-11-15-22(18)20(23)19-14-12-17-26-19/h12,14,17-18H,2-11,13,15-16H2,1H3
- InChI Key
- UNCNFWIUTVUFTO-UHFFFAOYSA-N
- Formula
- C21H33NO3S
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCN1C(=O)c
1cccs1 - Molecular Weight1
- 379.56
- 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 | 0.9534 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -632.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.427 | Crippen Calculated Property | |
| McVol | 311.770 | ml/mol | McGowan Calculated Property |
| Pc | 1033.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3039.00; 3039.00] |
|
|
| Inp | 3039.00 | NIST | |
| Inp | 3039.00 | NIST | |
| Tboil | 680.86 | K | Relay (1.0) Calculated Property |
| Tc | 903.06 | K | Relay (1.0) Calculated Property |
| Tfus | 326.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.148 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(thiophen-2-carbonyl)-, undecyl 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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