- InChI
- InChI=1S/C15H11NO2S/c16-10-12-6-8-13(9-7-12)18-15(17)11-19-14-4-2-1-3-5-14/h1-9H,11H2
- InChI Key
- DQJSGKNXEASBDL-UHFFFAOYSA-N
- Formula
- C15H11NO2S
- SMILES
- N#Cc1ccc(OC(=O)CSc2ccccc2)cc1
- Molecular Weight1
- 269.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 222.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.65 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 199.860 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | 2275.00 | NIST | |
| Tboil | 848.09 | K | Joback Calculated Property |
| Tc | 1110.60 | K | Joback Calculated Property |
| Tfus | 495.72 | K | Joback Calculated Property |
| Vc | 0.763 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.66; 578.20] | J/mol×K | [848.09; 1110.60] | 
|
| Cp,gas | 531.66 | J/mol×K | 848.09 | Joback Calculated Property |
| Cp,gas | 542.42 | J/mol×K | 891.84 | Joback Calculated Property |
| Cp,gas | 551.91 | J/mol×K | 935.59 | Joback Calculated Property |
| Cp,gas | 560.19 | J/mol×K | 979.35 | Joback Calculated Property |
| Cp,gas | 567.30 | J/mol×K | 1023.10 | Joback Calculated Property |
| Cp,gas | 573.29 | J/mol×K | 1066.85 | Joback Calculated Property |
| Cp,gas | 578.20 | J/mol×K | 1110.60 | Joback Calculated Property |
Similar Compounds
![Benzene,[(4-phenoxybutyl)thio]-.](data:image/png;base64,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)
Find more compounds similar to Phenylthioacetic acid, 4-cyanophenyl ester.
Sources
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