- InChI
- InChI=1S/C10H12O2S/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChI Key
- SEDRTXNDGKRHBL-UHFFFAOYSA-N
- Formula
- C10H12O2S
- SMILES
- CCOC(=O)CSc1ccccc1
- Molecular Weight1
- 196.27
- CAS
- 7605-25-6
- Other Names
-
- Ethyl (phenylsulfanyl)acetate
- (Phenylthio)acetic acid, ethyl ester
- Acetic acid, (phenylthio)-, ethyl ester
- 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 | 0.4515 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.342 | Crippen Calculated Property | |
| McVol | 151.790 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | [1474.00; 1522.00] |
|
|
| Inp | 1522.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Tboil | 552.10 | K | Relay (1.0) Calculated Property |
| Tc | 745.36 | K | Relay (1.0) Calculated Property |
| Tfus | 287.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.535 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.90; 419.64] | J/mol×K | [599.95; 831.45] |
|
| Cp,gas | 350.90 | J/mol×K | 599.95 | Joback Calculated Property |
| Cp,gas | 364.55 | J/mol×K | 638.53 | Joback Calculated Property |
| Cp,gas | 377.31 | J/mol×K | 677.12 | Joback Calculated Property |
| Cp,gas | 389.18 | J/mol×K | 715.70 | Joback Calculated Property |
| Cp,gas | 400.18 | J/mol×K | 754.28 | Joback Calculated Property |
| Cp,gas | 410.33 | J/mol×K | 792.87 | Joback Calculated Property |
| Cp,gas | 419.64 | J/mol×K | 831.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl (phenylthio)acetate.
Sources
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