- InChI
- InChI=1S/C12H14S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,10,12H,2,4,6,8H2/t10-,12?/m0/s1
- InChI Key
- VKFAAUDUBPEOMC-NUHJPDEHSA-N
- Formula
- C12H14S
- SMILES
- c1ccc2c(c1)SC1CCCCC21
- Molecular Weight1
- 190.31
- 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 | 0.3138 | Relay (... Calculated Property | |
| ΔfG° | 302.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 95.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.86 | kJ/mol | Relay (... Calculated Property |
| IE | 7.81 | eV | Relay (... Calculated Property |
| log10WS | -4.62 | Relay (... Calculated Property | |
| logPoct/wat | 3.819 | Crippen Calculated Property | |
| McVol | 150.810 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| Inp | [271.39; 271.39] |
|
|
| Inp | 271.39 | NIST | |
| Inp | 271.39 | NIST | |
| Tboil | 575.60 | K | Relay (... Calculated Property |
| Tc | 812.92 | K | Relay (... Calculated Property |
| Tfus | 314.52 | K | Relay (... Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.55; 460.78] | J/mol×K | [571.20; 826.72] |
|
| Cp,gas | 367.55 | J/mol×K | 571.20 | Joback Calculated Property |
| Cp,gas | 386.56 | J/mol×K | 613.79 | Joback Calculated Property |
| Cp,gas | 403.99 | J/mol×K | 656.37 | Joback Calculated Property |
| Cp,gas | 419.98 | J/mol×K | 698.96 | Joback Calculated Property |
| Cp,gas | 434.68 | J/mol×K | 741.55 | Joback Calculated Property |
| Cp,gas | 448.23 | J/mol×K | 784.13 | Joback Calculated Property |
| Cp,gas | 460.78 | J/mol×K | 826.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-1,2,3,4,4a,9a-Hexahydrodibenzothiophene.
Sources
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