- InChI
- InChI=1S/C9H16S2/c1-4-6-10-8-9(3)11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
- InChI Key
- ALRSWITZDHDTPH-UHFFFAOYSA-N
- Formula
- C9H16S2
- SMILES
- C=CCSCC(C)SCC=C
- Molecular Weight1
- 188.35
- 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 | 0.2881 | Relay (1.0) Calculated Property | |
| ΔfG° | 264.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 2.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.213 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 2613.74 | kPa | Joback Calculated Property |
| Inp | 1367.00 | NIST | |
| I | [1871.00; 1871.00] |
|
|
| I | 1871.00 | NIST | |
| I | 1871.00 | NIST | |
| Tboil | 507.63 | K | Relay (1.0) Calculated Property |
| Tc | 696.38 | K | Relay (1.0) Calculated Property |
| Tfus | 202.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.94; 424.26] | J/mol×K | [535.80; 752.09] |
|
| Cp,gas | 348.94 | J/mol×K | 535.80 | Joback Calculated Property |
| Cp,gas | 363.41 | J/mol×K | 571.85 | Joback Calculated Property |
| Cp,gas | 377.09 | J/mol×K | 607.90 | Joback Calculated Property |
| Cp,gas | 389.99 | J/mol×K | 643.95 | Joback Calculated Property |
| Cp,gas | 402.14 | J/mol×K | 679.99 | Joback Calculated Property |
| Cp,gas | 413.55 | J/mol×K | 716.04 | Joback Calculated Property |
| Cp,gas | 424.26 | J/mol×K | 752.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-methyl-4,7-dithia-1,9-decadiene.
Sources
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