- InChI
- InChI=1S/C5H10OS/c1-4(6)3-5(2)7/h5,7H,3H2,1-2H3
- InChI Key
- KHIPEWLRUGVKIC-UHFFFAOYSA-N
- Formula
- C5H10OS
- SMILES
- CC(=O)CC(C)S
- Molecular Weight1
- 118.20
- Other Names
-
- 4-mercaptopentan-2-one
- 4-mercapto-2-pentanone
- 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.
- I : 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 | 0.4072 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 99.230 | ml/mol | McGowan Calculated Property |
| Pc | 4093.38 | kPa | Joback Calculated Property |
| Inp | [884.00; 926.00] |
|
|
| Inp | 914.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 914.00 | NIST | |
| I | [1587.00; 1614.00] |
|
|
| I | 1587.00 | NIST | |
| I | 1614.00 | NIST | |
| I | 1587.00 | NIST | |
| Tboil | 430.10 | K | Relay (1.0) Calculated Property |
| Tc | 627.72 | K | Relay (1.0) Calculated Property |
| Tfus | 196.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.43; 235.44] | J/mol×K | [430.09; 638.12] |
|
| Cp,gas | 183.43 | J/mol×K | 430.09 | Joback Calculated Property |
| Cp,gas | 193.22 | J/mol×K | 464.76 | Joback Calculated Property |
| Cp,gas | 202.55 | J/mol×K | 499.43 | Joback Calculated Property |
| Cp,gas | 211.43 | J/mol×K | 534.10 | Joback Calculated Property |
| Cp,gas | 219.86 | J/mol×K | 568.78 | Joback Calculated Property |
| Cp,gas | 227.86 | J/mol×K | 603.45 | Joback Calculated Property |
| Cp,gas | 235.44 | J/mol×K | 638.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-mercaptopentan-2-ol.
Sources
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