- InChI
- InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
- InChI Key
- CZUGFKJYCPYHHV-UHFFFAOYSA-N
- Formula
- C4H10OS
- SMILES
- CSCCCO
- Molecular Weight1
- 106.19
- CAS
- 505-10-2
- Other Names
-
- «gamma»-Methylmercaptopropyl alcohol
- 3-(Methylthio)-1-propanol
- 3-Hydroxypropyl methyl sulfide
- 3-Methylmercapto-1-propanol
- 3-(Methylthio)propanol
- 3-(Methylsulfanyl)propanol
- 3-Methylthiopropyl alcohol
- Methionol
- NSC 2859
- 3-(methylsulfanyl)propanol (methionol)
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -257.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.732 | Crippen Calculated Property | |
| McVol | 89.440 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| Inp | [941.00; 989.00] |
|
|
| Inp | 980.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | Outlier 944.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | Outlier 950.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | Outlier 941.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | Outlier 950.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 977.00 | NIST | |
| Ip | [1676.00; 1763.00] |
|
|
| Ip | 1715.00 | NIST | |
| Ip | 1738.00 | NIST | |
| Ip | 1715.00 | NIST | |
| Ip | 1719.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1746.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1720.00 | NIST | |
| Ip | 1720.00 | NIST | |
| Ip | 1720.00 | NIST | |
| Ip | 1708.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1719.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1733.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | Outlier 1686.00 | NIST | |
| Ip | Outlier 1686.00 | NIST | |
| Ip | 1716.00 | NIST | |
| Ip | 1716.00 | NIST | |
| Ip | 1702.00 | NIST | |
| Ip | 1725.00 | NIST | |
| Ip | 1706.00 | NIST | |
| Ip | 1742.00 | NIST | |
| Ip | 1744.00 | NIST | |
| Ip | 1744.00 | NIST | |
| Ip | 1733.00 | NIST | |
| Ip | 1694.00 | NIST | |
| Ip | 1715.00 | NIST | |
| Ip | 1717.00 | NIST | |
| Ip | 1727.00 | NIST | |
| Ip | 1695.00 | NIST | |
| Ip | 1704.00 | NIST | |
| Ip | 1704.00 | NIST | |
| Ip | 1748.00 | NIST | |
| Ip | 1745.00 | NIST | |
| Ip | 1730.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1744.00 | NIST | |
| Ip | 1744.00 | NIST | |
| Ip | 1744.00 | NIST | |
| Ip | 1742.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1708.00 | NIST | |
| Ip | 1738.00 | NIST | |
| Ip | 1738.00 | NIST | |
| Ip | 1715.00 | NIST | |
| Ip | 1715.00 | NIST | |
| Ip | 1702.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1708.00 | NIST | |
| Ip | 1702.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1734.00 | NIST | |
| Ip | Outlier 1676.00 | NIST | |
| Ip | Outlier 1763.00 | NIST | |
| Ip | 1727.00 | NIST | |
| Ip | 1731.00 | NIST | |
| Ip | 1725.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1722.00 | NIST | |
| Ip | 1736.00 | NIST | |
| Ip | 1707.00 | NIST | |
| Ip | 1707.00 | NIST | |
| Ip | 1701.00 | NIST | |
| Ip | 1738.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1706.00 | NIST | |
| Ip | 1727.00 | NIST | |
| Ip | 1705.00 | NIST | |
| Ip | 1715.00 | NIST | |
| Ip | Outlier 1687.00 | NIST | |
| Ip | Outlier 1758.00 | NIST | |
| Ip | 1739.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1752.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1701.00 | NIST | |
| Ip | 1705.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Tboil | 476.04 | K | Relay (1.0) Calculated Property |
| Tc | 709.35 | K | Relay (1.0) Calculated Property |
| Tfus | 231.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 362.70 | K | 1.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.34; 270.95] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.41430e+01 | |||
| Coefficient B | 4.12210e-01 | |||
| Coefficient C | -1.84000e-04 | |||
| Coefficient D | 1.86000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 147.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 190.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 208.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 224.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 238.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 251.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 262.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 270.95 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
![1-Propanol, 3-[(2-hydroxyethyl)thio]-.](data:image/png;base64,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)
Find more compounds similar to 1-Propanol, 3-(methylthio)-.
Sources
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