- InChI
- InChI=1S/C5H10OS/c1-5(6)3-2-4-7/h7H,2-4H2,1H3
- InChI Key
- ZNHQFCJLFKKUNA-UHFFFAOYSA-N
- Formula
- C5H10OS
- SMILES
- CC(=O)CCCS
- Molecular Weight1
- 118.20
- 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 | 0.4684 | Relay (... Calculated Property | |
| ΔfG° | -108.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.97 | kJ/mol | Relay (... Calculated Property |
| IE | 9.01 | eV | Relay (... Calculated Property |
| log10WS | -0.13 | Relay (... Calculated Property | |
| logPoct/wat | 1.285 | Crippen Calculated Property | |
| McVol | 99.230 | ml/mol | McGowan Calculated Property |
| Pc | 4051.80 | kPa | Joback Calculated Property |
| Inp | 910.00 | NIST | |
| Tboil | 458.52 | K | Relay (... Calculated Property |
| Tc | 660.61 | K | Relay (... Calculated Property |
| Tfus | 241.18 | K | Relay (... Calculated Property |
| Vc | 0.344 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.33; 233.82] | J/mol×K | [430.53; 633.63] | 
|
| Cp,gas | 183.33 | J/mol×K | 430.53 | Joback Calculated Property |
| Cp,gas | 192.79 | J/mol×K | 464.38 | Joback Calculated Property |
| Cp,gas | 201.83 | J/mol×K | 498.23 | Joback Calculated Property |
| Cp,gas | 210.43 | J/mol×K | 532.08 | Joback Calculated Property |
| Cp,gas | 218.63 | J/mol×K | 565.93 | Joback Calculated Property |
| Cp,gas | 226.42 | J/mol×K | 599.78 | Joback Calculated Property |
| Cp,gas | 233.82 | J/mol×K | 633.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Mercapto-2-pentanone.
Sources
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