- InChI
- InChI=1S/C8H16S/c1-2-4-6-8-9-7-5-3-1/h1-8H2
- InChI Key
- JFPFLSVIMBQNLB-UHFFFAOYSA-N
- Formula
- C8H16S
- SMILES
- C1CCCCSCCC1
- Molecular Weight1
- 144.28
- CAS
- 6007-54-1
- 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).
- 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 |
|---|---|---|---|
| ω | 0.1888 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.074 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | 1139.00 | NIST | |
| Tboil | 482.99 | K | Relay (1.0) Calculated Property |
| Tc | 720.12 | K | Relay (1.0) Calculated Property |
| Tfus | 301.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.03; 368.06] | J/mol×K | [467.30; 711.99] | 
|
| Cp,gas | 261.03 | J/mol×K | 467.30 | Joback Calculated Property |
| Cp,gas | 281.85 | J/mol×K | 508.08 | Joback Calculated Property |
| Cp,gas | 301.45 | J/mol×K | 548.86 | Joback Calculated Property |
| Cp,gas | 319.86 | J/mol×K | 589.65 | Joback Calculated Property |
| Cp,gas | 337.08 | J/mol×K | 630.43 | Joback Calculated Property |
| Cp,gas | 353.14 | J/mol×K | 671.21 | Joback Calculated Property |
| Cp,gas | 368.06 | J/mol×K | 711.99 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [359.06; 531.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.35661e+01 | |||
| Coefficient B | -3.75935e+03 | |||
| Coefficient C | -7.59500e+01 | |||
| Temperature range, min. | 359.06 | |||
| Temperature range, max. | 531.37 | |||
| Pvap | 1.33 | kPa | 359.06 | Calculated Property |
| Pvap | 3.09 | kPa | 378.21 | Calculated Property |
| Pvap | 6.48 | kPa | 397.35 | Calculated Property |
| Pvap | 12.52 | kPa | 416.50 | Calculated Property |
| Pvap | 22.52 | kPa | 435.64 | Calculated Property |
| Pvap | 38.20 | kPa | 454.79 | Calculated Property |
| Pvap | 61.57 | kPa | 473.93 | Calculated Property |
| Pvap | 94.98 | kPa | 493.08 | Calculated Property |
| Pvap | 141.06 | kPa | 512.22 | Calculated Property |
| Pvap | 202.65 | kPa | 531.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiacyclononane.
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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