- InChI
- InChI=1S/C15H15NO3S/c1-19-15(18)12(10-11-6-3-2-4-7-11)16-14(17)13-8-5-9-20-13/h2-9,12H,10H2,1H3,(H,16,17)
- InChI Key
- LIWKGUIEIXQWPB-UHFFFAOYSA-N
- Formula
- C15H15NO3S
- SMILES
-
COC(=O)C(Cc1ccccc1)NC(=O)c1ccc
s1 - Molecular Weight1
- 289.35
- 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 | 0.6411 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -318.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.262 | Crippen Calculated Property | |
| McVol | 214.330 | ml/mol | McGowan Calculated Property |
| Pc | 2346.27 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2241.00 | NIST | |
| Tboil | 634.26 | K | Relay (1.0) Calculated Property |
| Tc | 902.07 | K | Relay (1.0) Calculated Property |
| Tfus | 367.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, N-(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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