- InChI
- InChI=1S/C10H22S/c1-5-6-7-8-11-10(4)9(2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- SLWLCOPCNCAVOJ-UHFFFAOYSA-N
- Formula
- C10H22S
- SMILES
- CCCCCSC(C)C(C)C
- Molecular Weight1
- 174.35
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.4146 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -218.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.72 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.954 | Crippen Calculated Property | |
| McVol | 168.110 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | [1204.00; 1204.00] |
|
|
| Inp | 1204.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Tboil | 476.89 | K | Relay (1.0) Calculated Property |
| Tc | 663.34 | K | Relay (1.0) Calculated Property |
| Tfus | 198.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.610 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.49; 562.90] | 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 | 1.00340e+01 | |||
| Coefficient B | 9.60070e-01 | |||
| Coefficient C | -4.86400e-04 | |||
| Coefficient D | 7.92000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 292.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 341.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 386.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 426.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 461.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 492.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 519.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 543.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 562.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-dimethyl-4-thianonane.
Sources
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