- InChI
- InChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3
- InChI Key
- FETFXNFGOYOOSP-UHFFFAOYSA-N
- Formula
- C3H8OS
- SMILES
- CC(O)CS
- Molecular Weight1
- 92.16
- CAS
- 1068-47-9
- Other Names
-
- 1-mercaptopropan-2-ol
- 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 | 0.5596 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.297 | Crippen Calculated Property | |
| McVol | 75.350 | ml/mol | McGowan Calculated Property |
| Pc | 5552.58 | kPa | Joback Calculated Property |
| Inp | [742.00; 765.00] |
|
|
| Inp | 765.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 742.00 | NIST | |
| I | [1425.00; 1492.00] |
|
|
| I | 1492.00 | NIST | |
| I | 1425.00 | NIST | |
| I | 1425.00 | NIST | |
| Tboil | 421.81 | K | Relay (1.0) Calculated Property |
| Tc | 642.17 | K | Relay (1.0) Calculated Property |
| Tfus | 205.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.265 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [102.09; 218.68] | 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 | 1.86610e+01 | |||
| Coefficient B | 3.56020e-01 | |||
| Coefficient C | -1.95400e-04 | |||
| Coefficient D | 3.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 102.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 121.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 139.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 155.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 169.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 182.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 193.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 203.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 211.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 218.68 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Mercapto-2-propanol.
Sources
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