- InChI
- InChI=1S/C6H12S2/c1-6-3-2-4-7-8-5-6/h6H,2-5H2,1H3
- InChI Key
- BTSPIBMKYWNUOV-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- CC1CCCSSC1
- Molecular Weight1
- 148.30
- Other Names
-
- 1,2-Dithiepane, 4-methyl
- 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 | 0.2337 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -72.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.798 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Inp | [1169.00; 1231.00] |
|
|
| Inp | 1231.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Tboil | 485.24 | K | Relay (1.0) Calculated Property |
| Tc | 719.99 | K | Relay (1.0) Calculated Property |
| Tfus | 236.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.08; 308.58] | J/mol×K | [456.16; 705.33] |
|
| Cp,gas | 224.08 | J/mol×K | 456.16 | Joback Calculated Property |
| Cp,gas | 240.57 | J/mol×K | 497.69 | Joback Calculated Property |
| Cp,gas | 256.06 | J/mol×K | 539.22 | Joback Calculated Property |
| Cp,gas | 270.59 | J/mol×K | 580.75 | Joback Calculated Property |
| Cp,gas | 284.16 | J/mol×K | 622.27 | Joback Calculated Property |
| Cp,gas | 296.82 | J/mol×K | 663.80 | Joback Calculated Property |
| Cp,gas | 308.58 | J/mol×K | 705.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-1,2-dithiepane.
Sources
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