- InChI
- InChI=1S/C7H14S/c1-6-4-3-5-8-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
- InChI Key
- AYPMDIAVGCTOTF-BQBZGAKWSA-N
- Formula
- C7H14S
- SMILES
- CC1CCCSC1C
- Molecular Weight1
- 130.25
- Other Names
-
- 2,3-dimethylthiane, cis
- cis-2,3-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 | 0.2347 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.538 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Inp | [1022.00; 1022.00] |
|
|
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Tboil | 442.53 | K | Relay (1.0) Calculated Property |
| Tc | 664.69 | K | Relay (1.0) Calculated Property |
| Tfus | 205.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.67; 398.53] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.13200e+01 | |||
| Coefficient B | 7.78850e-01 | |||
| Coefficient C | -4.01300e-04 | |||
| Coefficient D | 6.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 186.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 262.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 293.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 321.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 345.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 366.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 383.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 398.53 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cis-2,3-dimethylthiane.
Sources
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