- InChI
- InChI=1S/C14H13NO5S2/c1-19-13(17)9(15-12(16)10-4-2-6-21-10)8-20-14(18)11-5-3-7-22-11/h2-7,9H,8H2,1H3,(H,15,16)
- InChI Key
- QNFWDFUVLGOAOB-UHFFFAOYSA-N
- Formula
- C14H13NO5S2
- SMILES
-
COC(=O)C(COC(=O)c1cccs1)NC(=O)
c1cccs1 - Molecular Weight1
- 339.39
- 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 | 0.7599 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -626.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.938 | Crippen Calculated Property | |
| McVol | 228.330 | ml/mol | McGowan Calculated Property |
| Pc | 2221.83 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2705.00; 2705.00] |
|
|
| Inp | 2705.00 | NIST | |
| Inp | 2705.00 | NIST | |
| Tboil | 657.08 | K | Relay (1.0) Calculated Property |
| Tc | 928.80 | K | Relay (1.0) Calculated Property |
| Tfus | 354.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Serine, N,O-bis(2-thienylcarbonyl)-, methyl 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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