- InChI
- InChI=1S/C6H12OS/c1-6(7)4-3-5-8-2/h3,5-7H,4H2,1-2H3/b5-3+
- InChI Key
- IIITWVBSNBEZHT-HWKANZROSA-N
- Formula
- C6H12OS
- SMILES
- CSC=CCC(C)O
- Molecular Weight1
- 132.22
- CAS
- 97369-79-4
- Other Names
-
- 5-(Methylthio)-4-penten-2-ol
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -26.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.94 | Crippen Calculated Property | |
| logPoct/wat | 1.634 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3786.98 | kPa | Joback Calculated Property |
| I | [1659.00; 1659.00] |
|
|
| I | 1659.00 | NIST | |
| I | 1659.00 | NIST | |
| Tboil | 501.36 | K | Joback Calculated Property |
| Tc | 693.99 | K | Joback Calculated Property |
| Tfus | 232.52 | K | Joback Calculated Property |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.17; 289.30] | J/mol×K | [501.36; 693.99] |
|
| Cp,gas | 237.17 | J/mol×K | 501.36 | Joback Calculated Property |
| Cp,gas | 247.02 | J/mol×K | 533.46 | Joback Calculated Property |
| Cp,gas | 256.38 | J/mol×K | 565.57 | Joback Calculated Property |
| Cp,gas | 265.27 | J/mol×K | 597.67 | Joback Calculated Property |
| Cp,gas | 273.71 | J/mol×K | 629.78 | Joback Calculated Property |
| Cp,gas | 281.72 | J/mol×K | 661.88 | Joback Calculated Property |
| Cp,gas | 289.30 | J/mol×K | 693.99 | Joback Calculated Property |
Similar Compounds
![2,4-Octadienoic acid, 7-hydroxy-, methyl ester, [R-(E,E)]-.](data:image/png;base64,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)
Find more compounds similar to 4-Penten-2-ol, 5-(methylthio)-, (Z)-.
Sources
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