- 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
- 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).
- Pvap : Vapor 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° | 48.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 3.464 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Inp | 1195.00 | NIST | |
| Tboil | 494.45 | K | Joback Calculated Property |
| Tc | 744.39 | K | Joback Calculated Property |
| Tfus | 272.18 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.09; 424.78] | J/mol×K | [494.45; 744.39] | 
|
| Cp,gas | 307.09 | J/mol×K | 494.45 | Joback Calculated Property |
| Cp,gas | 330.13 | J/mol×K | 536.11 | Joback Calculated Property |
| Cp,gas | 351.79 | J/mol×K | 577.76 | Joback Calculated Property |
| Cp,gas | 372.07 | J/mol×K | 619.42 | Joback Calculated Property |
| Cp,gas | 390.99 | J/mol×K | 661.07 | Joback Calculated Property |
| Cp,gas | 408.56 | J/mol×K | 702.73 | Joback Calculated Property |
| Cp,gas | 424.78 | J/mol×K | 744.39 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [372.16; 554.07] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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