- InChI
- InChI=1S/C9H16S5/c1-4-6-10-8-9(3)12-14-13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
- InChI Key
- NGDHBSGNCAGFLV-UHFFFAOYSA-N
- Formula
- C9H16S5
- SMILES
- C=CCSCC(C)SSSSCC=C
- Molecular Weight1
- 284.55
- 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 | 0.3373 | Relay (... Calculated Property | |
| ΔfG° | 363.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 71.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.24 | eV | Relay (... Calculated Property |
| log10WS | -4.14 | Relay (... Calculated Property | |
| logPoct/wat | 5.158 | Crippen Calculated Property | |
| McVol | 210.820 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | [2061.00; 2061.00] |
|
|
| Inp | 2061.00 | NIST | |
| Inp | 2061.00 | NIST | |
| Tboil | 630.05 | K | Relay (... Calculated Property |
| Tc | 830.95 | K | Relay (... Calculated Property |
| Tfus | 236.42 | K | Relay (... Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.26; 561.65] | J/mol×K | [742.14; 1010.80] |
|
| Cp,gas | 500.26 | J/mol×K | 742.14 | Joback Calculated Property |
| Cp,gas | 513.84 | J/mol×K | 786.92 | Joback Calculated Property |
| Cp,gas | 526.08 | J/mol×K | 831.69 | Joback Calculated Property |
| Cp,gas | 536.99 | J/mol×K | 876.47 | Joback Calculated Property |
| Cp,gas | 546.55 | J/mol×K | 921.25 | Joback Calculated Property |
| Cp,gas | 554.78 | J/mol×K | 966.03 | Joback Calculated Property |
| Cp,gas | 561.65 | J/mol×K | 1010.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-methyl-4,5,6,7,10-pentathia-1,12-tridecadiene.
Sources
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