- InChI
- InChI=1S/C6H12S/c1-6(2)4-3-5-7-6/h3-5H2,1-2H3
- InChI Key
- XUZUHHOTUSNHDJ-UHFFFAOYSA-N
- Formula
- C6H12S
- SMILES
- CC1(C)CCCS1
- Molecular Weight1
- 116.22
- 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 | 0.2199 | Relay (1.0) Calculated Property | |
| ΔfG° | 70.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 2.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.292 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Inp | 887.00 | NIST | |
| Tboil | 402.96 | K | Relay (1.0) Calculated Property |
| Tc | 620.98 | K | Relay (1.0) Calculated Property |
| Tfus | 218.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.351 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.54; 256.63] | J/mol×K | [400.03; 623.18] | 
|
| Cp,gas | 182.54 | J/mol×K | 400.03 | Joback Calculated Property |
| Cp,gas | 197.57 | J/mol×K | 437.22 | Joback Calculated Property |
| Cp,gas | 211.36 | J/mol×K | 474.41 | Joback Calculated Property |
| Cp,gas | 224.04 | J/mol×K | 511.61 | Joback Calculated Property |
| Cp,gas | 235.72 | J/mol×K | 548.80 | Joback Calculated Property |
| Cp,gas | 246.55 | J/mol×K | 585.99 | Joback Calculated Property |
| Cp,gas | 256.63 | J/mol×K | 623.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-dimethyl-thiacyclopentane.
Sources
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