- InChI
- InChI=1S/C5H6OS/c1-4-2-3-5(6)7-4/h2-4H,1H3
- InChI Key
- QDQVRZPVOVZFMA-UHFFFAOYSA-N
- Formula
- C5H6OS
- SMILES
- CC1C=CC(=O)S1
- Molecular Weight1
- 114.17
- CAS
- 7210-64-2
- Other Names
-
- 5-Methyl-2(5H)-thiophenone
- 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 | 0.2578 | Relay (1.0) Calculated Property | |
| ΔfG° | -25.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 ± 0.05 | eV | NIST |
| log10WS | -1.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.204 | Crippen Calculated Property | |
| McVol | 84.070 | ml/mol | McGowan Calculated Property |
| Pc | 4736.62 | kPa | Joback Calculated Property |
| Inp | 826.00 | NIST | |
| Tboil | 438.47 | K | Relay (1.0) Calculated Property |
| Tc | 640.89 | K | Relay (1.0) Calculated Property |
| Tfus | 262.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.291 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.55; 209.62] | J/mol×K | [443.89; 683.84] | 
|
| Cp,gas | 153.55 | J/mol×K | 443.89 | Joback Calculated Property |
| Cp,gas | 164.15 | J/mol×K | 483.88 | Joback Calculated Property |
| Cp,gas | 174.26 | J/mol×K | 523.87 | Joback Calculated Property |
| Cp,gas | 183.86 | J/mol×K | 563.86 | Joback Calculated Property |
| Cp,gas | 192.96 | J/mol×K | 603.86 | Joback Calculated Property |
| Cp,gas | 201.55 | J/mol×K | 643.85 | Joback Calculated Property |
| Cp,gas | 209.62 | J/mol×K | 683.84 | Joback Calculated Property |
Similar Compounds
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)
Find more compounds similar to 2(5H)-Thiophenone, 5-methyl-.
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