- InChI
- InChI=1S/C10H12O2S/c1-3-12-10(11)8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3
- InChI Key
- JMIMEGUMLPEMLS-UHFFFAOYSA-N
- Formula
- C10H12O2S
- SMILES
- CCOC(=O)c1ccccc1SC
- Molecular Weight1
- 196.27
- ω : Acentric Factor.
- 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).
- 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 | 0.5086 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.585 | Crippen Calculated Property | |
| McVol | 151.790 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Inp | 1616.00 | NIST | |
| Tboil | 558.10 | K | Relay (1.0) Calculated Property |
| Tc | 743.62 | K | Relay (1.0) Calculated Property |
| Tfus | 269.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.05; 417.88] | J/mol×K | [604.93; 837.42] | 
|
| Cp,gas | 350.05 | J/mol×K | 604.93 | Joback Calculated Property |
| Cp,gas | 363.45 | J/mol×K | 643.68 | Joback Calculated Property |
| Cp,gas | 376.01 | J/mol×K | 682.43 | Joback Calculated Property |
| Cp,gas | 387.72 | J/mol×K | 721.18 | Joback Calculated Property |
| Cp,gas | 398.60 | J/mol×K | 759.92 | Joback Calculated Property |
| Cp,gas | 408.65 | J/mol×K | 798.67 | Joback Calculated Property |
| Cp,gas | 417.88 | J/mol×K | 837.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(methylthio)-, ethyl ester.
Sources
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