- InChI
- InChI=1S/C12H22S/c1-10-6-9-11(2)7-4-5-8-12(11,3)13-10/h10H,4-9H2,1-3H3/t10-,11-,12+/m1/s1
- InChI Key
- YSNQSSXOPDJTBK-UTUOFQBUSA-N
- Formula
- C10H18S
- SMILES
- CC1CCC2(C)CCCCC2(C)S1
- Molecular Weight1
- 170.31
- CAS
- 42900-30-1
- Other Names
-
- Cis-3-methyl-trans-2-thiabicyclo[4.4.0]decane
- 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).
- 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° | 144.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.02 | kJ/mol | Joback Calculated Property |
| IE | 7.80 ± 0.01 | eV | NIST |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 4.241 | Crippen Calculated Property | |
| McVol | 174.570 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Tboil | 548.16 | K | Joback Calculated Property |
| Tc | 795.75 | K | Joback Calculated Property |
| Tfus | 373.81 | K | Joback Calculated Property |
| Vc | 0.630 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.64; 559.31] | J/mol×K | [548.16; 795.75] | 
|
| Cp,gas | 438.64 | J/mol×K | 548.16 | Joback Calculated Property |
| Cp,gas | 462.07 | J/mol×K | 589.43 | Joback Calculated Property |
| Cp,gas | 483.74 | J/mol×K | 630.69 | Joback Calculated Property |
| Cp,gas | 503.96 | J/mol×K | 671.96 | Joback Calculated Property |
| Cp,gas | 523.08 | J/mol×K | 713.22 | Joback Calculated Property |
| Cp,gas | 541.42 | J/mol×K | 754.49 | Joback Calculated Property |
| Cp,gas | 559.31 | J/mol×K | 795.75 | Joback Calculated Property |
Similar Compounds
![4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane.](data:image/png;base64,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)
Find more compounds similar to cis,trans-2-Methyl-1-thiadecalin.
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