- InChI
- InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2
- InChI Key
- PJUIMOJAAPLTRJ-UHFFFAOYSA-N
- Formula
- C3H8O2S
- SMILES
- OCC(O)CS
- Molecular Weight1
- 108.16
- CAS
- 96-27-5
- Other Names
-
- 3-Mercapto-1,2-propanediol
- 1-Thioglycerol
- «alpha»-Thioglycerol
- Thioglycerol
- 1,2-Propanediol, 3-mercapto-
- «alpha»-Monothioglycerol
- «alpha»-Thiolglycerol
- Glycerol-1-thiol
- Glycerol, 1-thio-
- Thioglycerin
- Thioglycerine
- Thiovanol
- USAF CB-37
- USAF B-40
- 1-Mercapto-2,3-propanediol
- 1-Mercaptoglycerol
- 1-Monothioglycerol
- 1-Thio-2,3-propanediol
- 2,3-Dihydroxypropanethiol
- Monothioglycerin
- 3-Mercaptopropane-1,2-diol
- NSC 5370
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -272.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.98 | kJ/mol | Joback Calculated Property |
| log10WS | 0.21 | Crippen Calculated Property | |
| logPoct/wat | -0.731 | Crippen Calculated Property | |
| McVol | 81.220 | ml/mol | McGowan Calculated Property |
| Pc | 6400.00 | kPa | Joback Calculated Property |
| Tboil | 514.82 | K | Joback Calculated Property |
| Tc | 695.63 | K | Joback Calculated Property |
| Tfus | 266.67 | K | Joback Calculated Property |
| Vc | 0.289 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.60; 202.54] | J/mol×K | [514.82; 695.63] | 
|
| Cp,gas | 171.60 | J/mol×K | 514.82 | Joback Calculated Property |
| Cp,gas | 177.39 | J/mol×K | 544.96 | Joback Calculated Property |
| Cp,gas | 182.92 | J/mol×K | 575.09 | Joback Calculated Property |
| Cp,gas | 188.19 | J/mol×K | 605.23 | Joback Calculated Property |
| Cp,gas | 193.21 | J/mol×K | 635.36 | Joback Calculated Property |
| Cp,gas | 197.99 | J/mol×K | 665.50 | Joback Calculated Property |
| Cp,gas | 202.54 | J/mol×K | 695.63 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 391.20 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to Monothioglycerol.
Sources
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