- InChI
- InChI=1S/C9H18S/c1-2-4-6-8-10-9-7-5-3-1/h1-9H2
- InChI Key
- IKUFHMODDAEPRX-UHFFFAOYSA-N
- Formula
- C9H18S
- SMILES
- C1CCCCSCCCC1
- Molecular Weight1
- 158.30
- CAS
- 6048-83-5
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1906 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -171.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.464 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Tboil | 505.27 | K | Relay (1.0) Calculated Property |
| Tc | 746.53 | K | Relay (1.0) Calculated Property |
| Tfus | 299.64 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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 | [160.99; 495.51] | 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 | -7.55000e+01 | |||
| Coefficient B | 9.83410e-01 | |||
| Coefficient C | -4.35300e-04 | |||
| Coefficient D | 2.29000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 218.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 271.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 318.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 360.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 397.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 429.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 456.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 478.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 495.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [372.16; 554.07] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.33927e+01 | |||
| Coefficient B | -3.83463e+03 | |||
| Coefficient C | -7.95600e+01 | |||
| Temperature range, min. | 372.16 | |||
| Temperature range, max. | 554.07 | |||
| Pvap | 1.33 | kPa | 372.16 | Calculated Property |
| Pvap | 3.11 | kPa | 392.37 | Calculated Property |
| Pvap | 6.54 | kPa | 412.58 | Calculated Property |
| Pvap | 12.64 | kPa | 432.80 | Calculated Property |
| Pvap | 22.75 | kPa | 453.01 | Calculated Property |
| Pvap | 38.54 | kPa | 473.22 | Calculated Property |
| Pvap | 62.02 | kPa | 493.43 | Calculated Property |
| Pvap | 95.48 | kPa | 513.65 | Calculated Property |
| Pvap | 141.45 | kPa | 533.86 | Calculated Property |
| Pvap | 202.65 | kPa | 554.07 | Calculated Property |
Similar Compounds
Find more compounds similar to thiacyclodecane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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