- InChI
- InChI=1S/C10H22S/c1-6-10(4,5)11-8-7-9(2)3/h9H,6-8H2,1-5H3
- InChI Key
- YQDDWNNQOGRJJP-UHFFFAOYSA-N
- Formula
- C10H22S
- SMILES
- CCC(C)(C)SCCC(C)C
- Molecular Weight1
- 174.35
- 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° | 66.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 3.954 | Crippen Calculated Property | |
| McVol | 168.110 | ml/mol | McGowan Calculated Property |
| Pc | 2195.89 | kPa | Joback Calculated Property |
| Inp | [1144.00; 1144.00] |
|
|
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Tboil | 493.31 | K | Joback Calculated Property |
| Tc | 690.70 | K | Joback Calculated Property |
| Tfus | 224.28 | K | Joback Calculated Property |
| Vc | 0.632 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.81; 470.67] | J/mol×K | [493.31; 690.70] |
|
| Cp,gas | 378.81 | J/mol×K | 493.31 | Joback Calculated Property |
| Cp,gas | 396.27 | J/mol×K | 526.21 | Joback Calculated Property |
| Cp,gas | 412.82 | J/mol×K | 559.11 | Joback Calculated Property |
| Cp,gas | 428.50 | J/mol×K | 592.01 | Joback Calculated Property |
| Cp,gas | 443.35 | J/mol×K | 624.91 | Joback Calculated Property |
| Cp,gas | 457.39 | J/mol×K | 657.80 | Joback Calculated Property |
| Cp,gas | 470.67 | J/mol×K | 690.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6,6-trimethyl-5-thiaoctane.
Sources
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