- 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° | -131.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.00 | 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 | 3002.44 | 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 | 748.26 | K | Relay (1.0) Calculated Property |
| Tfus | 283.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.20; 451.41] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.90200e+00 | |||
| Coefficient B | 8.14510e-01 | |||
| Coefficient C | -4.16600e-04 | |||
| Coefficient D | 4.86000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 243.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 284.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 320.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 352.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 380.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 404.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 423.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 439.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.41 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl (phenylthio)acetate.
Sources
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