- InChI
- InChI=1S/C20H31NO3S/c1-2-3-4-5-6-7-8-9-15-24-20(23)17-12-10-14-21(17)19(22)18-13-11-16-25-18/h11,13,16-17H,2-10,12,14-15H2,1H3
- InChI Key
- MRAHQKHFWMTGBR-UHFFFAOYSA-N
- Formula
- C20H31NO3S
- SMILES
-
CCCCCCCCCCOC(=O)C1CCCN1C(=O)c1
cccs1 - Molecular Weight1
- 365.53
- 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 | 0.9157 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -611.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.037 | Crippen Calculated Property | |
| McVol | 297.680 | ml/mol | McGowan Calculated Property |
| Pc | 1127.21 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2912.00; 2912.00] |
|
|
| Inp | 2912.00 | NIST | |
| Inp | 2912.00 | NIST | |
| Tboil | 674.35 | K | Relay (1.0) Calculated Property |
| Tc | 896.24 | K | Relay (1.0) Calculated Property |
| Tfus | 324.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.093 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(thiophen-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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