- InChI
- InChI=1S/C10H22S/c1-7-9(3,4)11-10(5,6)8-2/h7-8H2,1-6H3
- InChI Key
- UXIURYRDRSUHPC-UHFFFAOYSA-N
- Formula
- C10H22S
- SMILES
- CCC(C)(C)SC(C)(C)CC
- Molecular Weight1
- 174.35
- 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 | 0.3503 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.097 | Crippen Calculated Property | |
| McVol | 168.110 | ml/mol | McGowan Calculated Property |
| Pc | 2218.71 | kPa | Joback Calculated Property |
| Inp | [1121.00; 1121.00] |
|
|
| Inp | 1121.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Tboil | 464.65 | K | Relay (1.0) Calculated Property |
| Tc | 662.13 | K | Relay (1.0) Calculated Property |
| Tfus | 215.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.20; 564.76] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.55480e+01 | |||
| Coefficient B | 1.19991e+00 | |||
| Coefficient C | -8.23600e-04 | |||
| Coefficient D | 2.24000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 235.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 295.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 348.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 434.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 468.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 498.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 523.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 545.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 564.76 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,5,5-tetramethyl-4-thiaheptane.
Sources
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