- InChI
- InChI=1S/C5H10O2S/c1-5(6)7-3-2-4-8/h8H,2-4H2,1H3
- InChI Key
- FVSBSLZVZIYRRO-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CC(=O)OCCCS
- Molecular Weight1
- 134.20
- 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.
- 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° | -213.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.62 | kJ/mol | Joback Calculated Property |
| log10WS | -0.85 | Crippen Calculated Property | |
| logPoct/wat | 0.869 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Inp | [989.00; 992.00] |
|
|
| Inp | 992.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 992.00 | NIST | |
| I | [1565.00; 1565.00] |
|
|
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| Tboil | 452.95 | K | Joback Calculated Property |
| Tc | 654.90 | K | Joback Calculated Property |
| Tfus | 254.73 | K | Joback Calculated Property |
| Vc | 0.394 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.20; 254.60] | J/mol×K | [452.95; 654.90] |
|
| Cp,gas | 204.20 | J/mol×K | 452.95 | Joback Calculated Property |
| Cp,gas | 213.49 | J/mol×K | 486.61 | Joback Calculated Property |
| Cp,gas | 222.42 | J/mol×K | 520.27 | Joback Calculated Property |
| Cp,gas | 231.01 | J/mol×K | 553.93 | Joback Calculated Property |
| Cp,gas | 239.23 | J/mol×K | 587.58 | Joback Calculated Property |
| Cp,gas | 247.10 | J/mol×K | 621.24 | Joback Calculated Property |
| Cp,gas | 254.60 | J/mol×K | 654.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Mercaptopropylacetate.
Sources
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