- InChI
- InChI=1S/C5H10O2S/c1-4(3-8)7-5(2)6/h4,8H,3H2,1-2H3
- InChI Key
- QQUPXRYKZXSZAM-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CC(=O)OC(C)CS
- Molecular Weight1
- 134.20
- CAS
- 35508-06-6
- Other Names
-
- 1-Methyl-2-sulfanylethyl acetate
- 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).
- Inp : Non-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° | -215.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.23 | kJ/mol | Joback Calculated Property |
| log10WS | -0.96 | Crippen Calculated Property | |
| logPoct/wat | 0.868 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Inp | 906.00 | NIST | |
| Tboil | 452.51 | K | Joback Calculated Property |
| Tc | 659.24 | K | Joback Calculated Property |
| Tfus | 239.73 | K | Joback Calculated Property |
| Vc | 0.388 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.37; 256.23] | J/mol×K | [452.51; 659.24] | 
|
| Cp,gas | 204.37 | J/mol×K | 452.51 | Joback Calculated Property |
| Cp,gas | 213.97 | J/mol×K | 486.96 | Joback Calculated Property |
| Cp,gas | 223.19 | J/mol×K | 521.42 | Joback Calculated Property |
| Cp,gas | 232.03 | J/mol×K | 555.87 | Joback Calculated Property |
| Cp,gas | 240.48 | J/mol×K | 590.33 | Joback Calculated Property |
| Cp,gas | 248.55 | J/mol×K | 624.78 | Joback Calculated Property |
| Cp,gas | 256.23 | J/mol×K | 659.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Mercapto-2-propanol, acetate.
Sources
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