- InChI
- InChI=1S/C4H10OS/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
- InChI Key
- PHRRYVOQWOVNLF-UHFFFAOYSA-N
- Formula
- C4H10OS
- SMILES
- CC(S)CCO
- Molecular Weight1
- 106.19
- Other Names
-
- 3-sulfanylbutan-1-ol
- 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° | -127.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.53 | kJ/mol | Joback Calculated Property |
| log10WS | -0.94 | Crippen Calculated Property | |
| logPoct/wat | 0.687 | Crippen Calculated Property | |
| McVol | 89.440 | ml/mol | McGowan Calculated Property |
| Pc | 4835.95 | kPa | Joback Calculated Property |
| Inp | [898.00; 957.00] |
|
|
| Inp | 957.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 898.00 | NIST | |
| I | [1665.00; 1670.00] |
|
|
| I | 1670.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1670.00 | NIST | |
| Tboil | 445.52 | K | Joback Calculated Property |
| Tc | 633.53 | K | Joback Calculated Property |
| Tfus | 217.12 | K | Joback Calculated Property |
| Vc | 0.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.64; 216.27] | J/mol×K | [445.52; 633.53] |
|
| Cp,gas | 173.64 | J/mol×K | 445.52 | Joback Calculated Property |
| Cp,gas | 181.58 | J/mol×K | 476.85 | Joback Calculated Property |
| Cp,gas | 189.18 | J/mol×K | 508.19 | Joback Calculated Property |
| Cp,gas | 196.43 | J/mol×K | 539.52 | Joback Calculated Property |
| Cp,gas | 203.36 | J/mol×K | 570.86 | Joback Calculated Property |
| Cp,gas | 209.97 | J/mol×K | 602.19 | Joback Calculated Property |
| Cp,gas | 216.27 | J/mol×K | 633.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Mercaptobutanol.
Sources
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