- InChI
- InChI=1S/C15H14O3S/c1-10(15(17)18-2)12-8-9-13(19-12)14(16)11-6-4-3-5-7-11/h3-10H,1-2H3
- InChI Key
- LUVJXUXGNTWIHI-UHFFFAOYSA-N
- Formula
- C15H14O3S
- SMILES
-
COC(=O)C(C)c1ccc(C(=O)c2ccccc2
)s1 - Molecular Weight1
- 274.33
- 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 | 0.6090 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -355.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 204.350 | ml/mol | McGowan Calculated Property |
| Pc | 2130.56 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2175.00; 2175.00] |
|
|
| Inp | 2175.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Tboil | 627.77 | K | Relay (1.0) Calculated Property |
| Tc | 861.84 | K | Relay (1.0) Calculated Property |
| Tfus | 355.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Tiaprofenic acid, bis-methylated.
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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