- InChI
- InChI=1S/C7H14S/c1-6-3-4-8-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
- InChI Key
- JLSMLKZFQHSQRA-RNFRBKRXSA-N
- Formula
- C7H14S
- SMILES
- CC1CCSCC1C
- Molecular Weight1
- 130.25
- Other Names
-
- 3,4-Dimethylthiane, trans
- trans-3,4-dimethyl-thiacyclohexane
- 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 | 0.2436 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.396 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Inp | [1008.00; 1015.00] |
|
|
| Inp | 1015.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Tboil | 447.59 | K | Relay (1.0) Calculated Property |
| Tc | 662.66 | K | Relay (1.0) Calculated Property |
| Tfus | 236.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.391 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.70; 309.57] | J/mol×K | [422.27; 641.36] |
|
| Cp,gas | 220.70 | J/mol×K | 422.27 | Joback Calculated Property |
| Cp,gas | 237.55 | J/mol×K | 458.78 | Joback Calculated Property |
| Cp,gas | 253.57 | J/mol×K | 495.30 | Joback Calculated Property |
| Cp,gas | 268.76 | J/mol×K | 531.81 | Joback Calculated Property |
| Cp,gas | 283.14 | J/mol×K | 568.33 | Joback Calculated Property |
| Cp,gas | 296.74 | J/mol×K | 604.84 | Joback Calculated Property |
| Cp,gas | 309.57 | J/mol×K | 641.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trans-3,4-dimethylthiane.
Sources
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