- InChI
- InChI=1S/C4H8S2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3
- InChI Key
- RCAGLIUGQCZIDE-UHFFFAOYSA-N
- Formula
- C4H8S2
- SMILES
- CC1CSCS1
- Molecular Weight1
- 120.24
- CAS
- 50363-43-4
- Other Names
-
- 1,3-Dithiolane, 4-methyl-
- 4-methyl-1,3-dithiacyclopentane
- 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 | 0.2178 | Relay (1.0) Calculated Property | |
| ΔfG° | 99.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -16.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.812 | Crippen Calculated Property | |
| McVol | 89.060 | ml/mol | McGowan Calculated Property |
| Pc | 4862.97 | kPa | Joback Calculated Property |
| Inp | [995.00; 1065.00] |
|
|
| Inp | 1014.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1052.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Tboil | 451.13 | K | Relay (1.0) Calculated Property |
| Tc | 684.70 | K | Relay (1.0) Calculated Property |
| Tfus | 267.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.296 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.32; 208.02] | J/mol×K | [401.86; 638.04] |
|
| Cp,gas | 149.32 | J/mol×K | 401.86 | Joback Calculated Property |
| Cp,gas | 160.81 | J/mol×K | 441.22 | Joback Calculated Property |
| Cp,gas | 171.57 | J/mol×K | 480.59 | Joback Calculated Property |
| Cp,gas | 181.64 | J/mol×K | 519.95 | Joback Calculated Property |
| Cp,gas | 191.04 | J/mol×K | 559.31 | Joback Calculated Property |
| Cp,gas | 199.83 | J/mol×K | 598.68 | Joback Calculated Property |
| Cp,gas | 208.02 | J/mol×K | 638.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-1,3-dithiolane.
Sources
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