- InChI
- InChI=1S/C7H14S/c1-5-4-8-7(3)6(5)2/h5-7H,4H2,1-3H3
- InChI Key
- SXSCANDAHMRUCL-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- CC1CSC(C)C1C
- Molecular Weight1
- 130.25
- 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 | 0.2567 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -106.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.394 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | 947.00 | NIST | |
| Tboil | 435.66 | K | Relay (1.0) Calculated Property |
| Tc | 642.64 | K | Relay (1.0) Calculated Property |
| Tfus | 226.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.18; 307.68] | J/mol×K | [413.33; 623.07] | 
|
| Cp,gas | 222.18 | J/mol×K | 413.33 | Joback Calculated Property |
| Cp,gas | 238.25 | J/mol×K | 448.29 | Joback Calculated Property |
| Cp,gas | 253.57 | J/mol×K | 483.24 | Joback Calculated Property |
| Cp,gas | 268.15 | J/mol×K | 518.20 | Joback Calculated Property |
| Cp,gas | 282.02 | J/mol×K | 553.16 | Joback Calculated Property |
| Cp,gas | 295.20 | J/mol×K | 588.11 | Joback Calculated Property |
| Cp,gas | 307.68 | J/mol×K | 623.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trimethylthiolane.
Sources
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