- InChI
- InChI=1S/C9H16S3/c1-4-6-10-8-9(3)12-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
- InChI Key
- NZIHHTYFEJSFCC-UHFFFAOYSA-N
- Formula
- C9H16S3
- SMILES
- C=CCSCC(C)SSCC=C
- Molecular Weight1
- 220.42
- CAS
- 116664-22-3
- 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.
- I : 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 | 0.3147 | Relay (... Calculated Property | |
| ΔfG° | 297.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 20.26 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.64 | kJ/mol | Relay (... Calculated Property |
| IE | 8.29 | eV | Relay (... Calculated Property |
| log10WS | -3.18 | Relay (... Calculated Property | |
| logPoct/wat | 3.861 | Crippen Calculated Property | |
| McVol | 178.120 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | [1591.00; 1602.70] |
|
|
| Inp | 1602.70 | NIST | |
| Inp | 1591.00 | NIST | |
| Inp | 1591.00 | NIST | |
| Inp | 1602.70 | NIST | |
| I | [2213.00; 2213.00] |
|
|
| I | 2213.00 | NIST | |
| I | 2213.00 | NIST | |
| Tboil | 552.57 | K | Relay (... Calculated Property |
| Tc | 745.41 | K | Relay (... Calculated Property |
| Tfus | 213.33 | K | Relay (... Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.66; 474.35] | J/mol×K | [604.58; 839.74] |
|
| Cp,gas | 400.66 | J/mol×K | 604.58 | Joback Calculated Property |
| Cp,gas | 415.21 | J/mol×K | 643.77 | Joback Calculated Property |
| Cp,gas | 428.83 | J/mol×K | 682.97 | Joback Calculated Property |
| Cp,gas | 441.54 | J/mol×K | 722.16 | Joback Calculated Property |
| Cp,gas | 453.35 | J/mol×K | 761.35 | Joback Calculated Property |
| Cp,gas | 464.28 | J/mol×K | 800.55 | Joback Calculated Property |
| Cp,gas | 474.35 | J/mol×K | 839.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyl-4,5,8-trithia-1,10-undecadiene.
Sources
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