- InChI
- InChI=1S/C6H12S/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
- InChI Key
- PQAQKWCWCGKBDS-NTSWFWBYSA-N
- Formula
- C6H12S
- SMILES
- CC1CCSC1C
- Molecular Weight1
- 116.22
- CAS
- 5161-78-4
- Other Names
-
- trans-2,3-Dimethyl-thiacyclopentane
- 2,3-Dimethyltetrahydrothiophene , (E)-
- 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 | 0.2383 | Relay (... Calculated Property | |
| ΔfG° | 68.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.06 | eV | Relay (... Calculated Property |
| log10WS | -2.25 | Relay (... Calculated Property | |
| logPoct/wat | 2.148 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Inp | [899.00; 899.00] |
|
|
| Inp | 899.00 | NIST | |
| Inp | 899.00 | NIST | |
| Tboil | 419.71 | K | Relay (... Calculated Property |
| Tc | 627.34 | K | Relay (... Calculated Property |
| Tfus | 205.51 | K | Relay (... Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.26; 258.85] | J/mol×K | [395.12; 607.56] |
|
| Cp,gas | 182.26 | J/mol×K | 395.12 | Joback Calculated Property |
| Cp,gas | 196.77 | J/mol×K | 430.53 | Joback Calculated Property |
| Cp,gas | 210.55 | J/mol×K | 465.93 | Joback Calculated Property |
| Cp,gas | 223.63 | J/mol×K | 501.34 | Joback Calculated Property |
| Cp,gas | 236.02 | J/mol×K | 536.74 | Joback Calculated Property |
| Cp,gas | 247.76 | J/mol×K | 572.15 | Joback Calculated Property |
| Cp,gas | 258.85 | J/mol×K | 607.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-2,3-Dimethylthiophane.
Sources
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