![2,2'-Spirobi[1,3-benzodithiole]](/cid/80-108-3/2-2-Spirobi-1-3-benzodithiole.png "2,2'-Spirobi[1,3-benzodithiole]")
- InChI
- InChI=1S/C13H8S4/c1-2-6-10-9(5-1)14-13(15-10)16-11-7-3-4-8-12(11)17-13/h1-8H
- InChI Key
- ABPUPZOZRITZGO-UHFFFAOYSA-N
- Formula
- C13H8S4
- SMILES
- c1ccc2c(c1)SC1(S2)Sc2ccccc2S1
- Molecular Weight1
- 292.46
- CAS
- 837-01-4
- 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° | 559.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 506.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.47 | kJ/mol | Joback Calculated Property |
| IE | [7.70; 7.85] | eV |
|
| IE | 7.70 | eV | NIST |
| IE | 7.85 | eV | NIST |
| log10WS | -6.23 | Crippen Calculated Property | |
| logPoct/wat | 5.394 | Crippen Calculated Property | |
| McVol | 190.190 | ml/mol | McGowan Calculated Property |
| Pc | 4189.32 | kPa | Joback Calculated Property |
| Tboil | 765.60 | K | Joback Calculated Property |
| Tc | 1100.36 | K | Joback Calculated Property |
| Tfus | 715.49 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.93; 548.95] | J/mol×K | [765.60; 1100.36] |
|
| Cp,gas | 447.93 | J/mol×K | 765.60 | Joback Calculated Property |
| Cp,gas | 461.45 | J/mol×K | 821.39 | Joback Calculated Property |
| Cp,gas | 475.28 | J/mol×K | 877.19 | Joback Calculated Property |
| Cp,gas | 490.18 | J/mol×K | 932.98 | Joback Calculated Property |
| Cp,gas | 506.91 | J/mol×K | 988.77 | Joback Calculated Property |
| Cp,gas | 526.25 | J/mol×K | 1044.57 | Joback Calculated Property |
| Cp,gas | 548.95 | J/mol×K | 1100.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2'-Spirobi[1,3-benzodithiole].
Sources
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