- InChI
- InChI=1S/C6H14S/c1-4-5-6(2)7-3/h6H,4-5H2,1-3H3
- InChI Key
- WGBHWWSSUGCSCP-UHFFFAOYSA-N
- Formula
- C6H14S
- SMILES
- CCCC(C)SC
- Molecular Weight1
- 118.24
- Other Names
-
- Methyl (1-methylbutyl) sulfide
- 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.
- 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 | 0.2852 | Relay (1.0) Calculated Property | |
| ΔfG° | 30.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.538 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Inp | 868.00 | NIST | |
| Tboil | 409.08 | K | Relay (1.0) Calculated Property |
| Tc | 588.24 | K | Relay (1.0) Calculated Property |
| Tfus | 170.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.46; 270.69] | J/mol×K | [405.02; 598.38] | 
|
| Cp,gas | 206.46 | J/mol×K | 405.02 | Joback Calculated Property |
| Cp,gas | 218.30 | J/mol×K | 437.25 | Joback Calculated Property |
| Cp,gas | 229.68 | J/mol×K | 469.47 | Joback Calculated Property |
| Cp,gas | 240.61 | J/mol×K | 501.70 | Joback Calculated Property |
| Cp,gas | 251.08 | J/mol×K | 533.93 | Joback Calculated Property |
| Cp,gas | 261.10 | J/mol×K | 566.16 | Joback Calculated Property |
| Cp,gas | 270.69 | J/mol×K | 598.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (1-methylbutyl) methyl sulfide.
Sources
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