- InChI
- InChI=1S/C6H14OS/c1-6(2,8)4-3-5-7/h7-8H,3-5H2,1-2H3
- InChI Key
- LYYCZSHAGOLATI-UHFFFAOYSA-N
- Formula
- C6H14OS
- SMILES
- CC(C)(S)CCCO
- Molecular Weight1
- 134.24
- 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 | 0.6228 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.467 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 3815.10 | kPa | Joback Calculated Property |
| Inp | [1185.00; 1185.00] |
|
|
| Inp | 1185.00 | NIST | |
| Inp | 1185.00 | NIST | |
| I | [1838.00; 1838.00] |
|
|
| I | 1838.00 | NIST | |
| I | 1838.00 | NIST | |
| Tboil | 477.31 | K | Relay (1.0) Calculated Property |
| Tc | 687.80 | K | Relay (1.0) Calculated Property |
| Tfus | 282.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.25; 313.18] | J/mol×K | [488.49; 679.97] |
|
| Cp,gas | 256.25 | J/mol×K | 488.49 | Joback Calculated Property |
| Cp,gas | 267.15 | J/mol×K | 520.40 | Joback Calculated Property |
| Cp,gas | 277.45 | J/mol×K | 552.32 | Joback Calculated Property |
| Cp,gas | 287.17 | J/mol×K | 584.23 | Joback Calculated Property |
| Cp,gas | 296.35 | J/mol×K | 616.14 | Joback Calculated Property |
| Cp,gas | 305.01 | J/mol×K | 648.06 | Joback Calculated Property |
| Cp,gas | 313.18 | J/mol×K | 679.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Sulfanyl-4-methylpentan-1-ol.
Sources
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