- InChI
- InChI=1S/C7H16S/c1-5-7(4)8-6(2)3/h6-7H,5H2,1-4H3
- InChI Key
- QFJOWMMNNIEXPT-UHFFFAOYSA-N
- Formula
- C7H16S
- SMILES
- CCC(C)SC(C)C
- Molecular Weight1
- 132.27
- CAS
- 22438-36-4
- Other Names
-
- Butane, 2-[(1-methylethyl)thio]-
- Sec-butyl isopropyl sulfide
- 2,4-dimethyl-3-thiahexane
- Isopropyl 2-butyl sulfide
- Isopropyl (1-methylpropyl) sulfide
- Sulfide, 1-methylethyl 1-methylpropyl
- 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° | 36.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.926 | Crippen Calculated Property | |
| McVol | 125.840 | ml/mol | McGowan Calculated Property |
| Pc | 2899.85 | kPa | Joback Calculated Property |
| Inp | [886.00; 897.00] |
|
|
| Inp | 887.00 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | Outlier 897.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 887.00 | NIST | |
| Tboil | 427.46 | K | Joback Calculated Property |
| Tc | 623.67 | K | Joback Calculated Property |
| Tfus | 173.05 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.67; 318.62] | J/mol×K | [427.46; 623.67] |
|
| Cp,gas | 245.67 | J/mol×K | 427.46 | Joback Calculated Property |
| Cp,gas | 259.20 | J/mol×K | 460.16 | Joback Calculated Property |
| Cp,gas | 272.18 | J/mol×K | 492.86 | Joback Calculated Property |
| Cp,gas | 284.59 | J/mol×K | 525.56 | Joback Calculated Property |
| Cp,gas | 296.47 | J/mol×K | 558.26 | Joback Calculated Property |
| Cp,gas | 307.81 | J/mol×K | 590.96 | Joback Calculated Property |
| Cp,gas | 318.62 | J/mol×K | 623.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfide, sec-butyl isopropyl.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.