- InChI
- InChI=1S/C7H16S/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3
- InChI Key
- CHNQQTFNKSVKRG-UHFFFAOYSA-N
- Formula
- C7H16S
- SMILES
- CCSC(C)(C)CC
- Molecular Weight1
- 132.27
- 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 | 0.2644 | Relay (1.0) Calculated Property | |
| ΔfG° | 44.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| McVol | 125.840 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Inp | [913.00; 913.00] |
|
|
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Tboil | 417.89 | K | Relay (1.0) Calculated Property |
| Tc | 611.23 | K | Relay (1.0) Calculated Property |
| Tfus | 189.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.74; 322.39] | J/mol×K | [425.11; 625.04] |
|
| Cp,gas | 247.74 | J/mol×K | 425.11 | Joback Calculated Property |
| Cp,gas | 261.92 | J/mol×K | 458.43 | Joback Calculated Property |
| Cp,gas | 275.37 | J/mol×K | 491.75 | Joback Calculated Property |
| Cp,gas | 288.12 | J/mol×K | 525.08 | Joback Calculated Property |
| Cp,gas | 300.18 | J/mol×K | 558.40 | Joback Calculated Property |
| Cp,gas | 311.60 | J/mol×K | 591.72 | Joback Calculated Property |
| Cp,gas | 322.39 | J/mol×K | 625.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-dimethyl-3-thiahexane.
Sources
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