- InChI
- InChI=1S/C9H20S/c1-6-8(3)10-9(4,5)7-2/h8H,6-7H2,1-5H3
- InChI Key
- CAUBTWNIPVKWEU-UHFFFAOYSA-N
- Formula
- C9H20S
- SMILES
- CCC(C)SC(C)(C)CC
- Molecular Weight1
- 160.32
- 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° | 58.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -201.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 3.707 | Crippen Calculated Property | |
| McVol | 154.020 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Inp | [1050.00; 1050.00] |
|
|
| Inp | 1050.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Tboil | 470.43 | K | Joback Calculated Property |
| Tc | 670.37 | K | Joback Calculated Property |
| Tfus | 213.01 | K | Joback Calculated Property |
| Vc | 0.577 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.15; 420.64] | J/mol×K | [470.43; 670.37] |
|
| Cp,gas | 333.15 | J/mol×K | 470.43 | Joback Calculated Property |
| Cp,gas | 349.79 | J/mol×K | 503.75 | Joback Calculated Property |
| Cp,gas | 365.57 | J/mol×K | 537.08 | Joback Calculated Property |
| Cp,gas | 380.51 | J/mol×K | 570.40 | Joback Calculated Property |
| Cp,gas | 394.65 | J/mol×K | 603.72 | Joback Calculated Property |
| Cp,gas | 408.01 | J/mol×K | 637.04 | Joback Calculated Property |
| Cp,gas | 420.64 | J/mol×K | 670.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5,5-trimethyl-4-thiaheptane.
Sources
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