- InChI
- InChI=1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
- InChI Key
- MOTOSAGBNXXRRE-UHFFFAOYSA-N
- Formula
- C8H8O2S
- SMILES
- O=C(O)CSc1ccccc1
- Molecular Weight1
- 168.21
- CAS
- 103-04-8
- Other Names
-
- (Phenylthio)acetic acid
- Carboxymethyl phenyl sulfide
- Phenylmercaptoacetic acid
- Phenylthioglycolic Acid
- 2-Mercapto-2-phenylacetic acid
- Thiophenoxyacetic acid
- 2-(Phenylthio)acetic acid
- «alpha»-(Phenylthio)acetic acid
- (Phenylsulfanyl)acetic acid
- NSC 9582
- 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 | 0.6239 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.863 | Crippen Calculated Property | |
| McVol | 123.610 | ml/mol | McGowan Calculated Property |
| Pc | 4546.92 | kPa | Joback Calculated Property |
| Inp | [1535.00; 1535.00] |
|
|
| Inp | 1535.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Tboil | 571.42 | K | Relay (1.0) Calculated Property |
| Tc | 802.79 | K | Relay (1.0) Calculated Property |
| Tfus | 367.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.41; 327.68] | J/mol×K | [623.95; 847.78] |
|
| Cp,gas | 280.41 | J/mol×K | 623.95 | Joback Calculated Property |
| Cp,gas | 289.94 | J/mol×K | 661.26 | Joback Calculated Property |
| Cp,gas | 298.78 | J/mol×K | 698.56 | Joback Calculated Property |
| Cp,gas | 306.95 | J/mol×K | 735.87 | Joback Calculated Property |
| Cp,gas | 314.47 | J/mol×K | 773.17 | Joback Calculated Property |
| Cp,gas | 321.37 | J/mol×K | 810.48 | Joback Calculated Property |
| Cp,gas | 327.68 | J/mol×K | 847.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (phenylthio)-.
Sources
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