- InChI
- InChI=1S/C6H12S2/c1-6(2)4-5-8-7-3/h1,4-5H2,2-3H3
- InChI Key
- XDIJAIZKSPAYHZ-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- C=C(C)CCSSC
- Molecular Weight1
- 148.29
- 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 | 0.3026 | Relay (1.0) Calculated Property | |
| ΔfG° | 145.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 4.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.964 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| Inp | [881.00; 883.00] |
|
|
| Inp | 881.00 | NIST | |
| Inp | 883.00 | NIST | |
| Tboil | 451.03 | K | Relay (1.0) Calculated Property |
| Tc | 657.10 | K | Relay (1.0) Calculated Property |
| Tfus | 193.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.06; 298.98] | J/mol×K | [470.80; 692.22] |
|
| Cp,gas | 237.06 | J/mol×K | 470.80 | Joback Calculated Property |
| Cp,gas | 248.79 | J/mol×K | 507.70 | Joback Calculated Property |
| Cp,gas | 259.94 | J/mol×K | 544.61 | Joback Calculated Property |
| Cp,gas | 270.53 | J/mol×K | 581.51 | Joback Calculated Property |
| Cp,gas | 280.56 | J/mol×K | 618.41 | Joback Calculated Property |
| Cp,gas | 290.04 | J/mol×K | 655.32 | Joback Calculated Property |
| Cp,gas | 298.98 | J/mol×K | 692.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methyl 3-methylbut-3-enyl sulfide.
Sources
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