- InChI
- InChI=1S/C19H29NO3S/c1-2-3-4-5-6-7-8-14-23-19(22)16-11-9-13-20(16)18(21)17-12-10-15-24-17/h10,12,15-16H,2-9,11,13-14H2,1H3
- InChI Key
- YUUNYJGBIBOSON-UHFFFAOYSA-N
- Formula
- C19H29NO3S
- SMILES
-
CCCCCCCCCOC(=O)C1CCCN1C(=O)c1c
ccs1 - Molecular Weight1
- 351.50
- 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 | 0.8764 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -589.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.647 | Crippen Calculated Property | |
| McVol | 283.590 | ml/mol | McGowan Calculated Property |
| Pc | 1224.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2804.00; 2804.00] |
|
|
| Inp | 2804.00 | NIST | |
| Inp | 2804.00 | NIST | |
| Tboil | 667.83 | K | Relay (1.0) Calculated Property |
| Tc | 889.23 | K | Relay (1.0) Calculated Property |
| Tfus | 322.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.039 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(thiophen-2-carbonyl)-, 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
- McGowan Method
- NIST Webbook
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