- InChI
- InChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3
- InChI Key
- ZMJBHCIEMIVIFZ-UHFFFAOYSA-N
- Formula
- C4H8S
- SMILES
- CC1SC1C
- Molecular Weight1
- 88.17
- CAS
- 5954-71-2
- Other Names
-
- 2,3-Dimethyl-thiirane (Z)
- cis-2,3-dimethylthiirane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.2376 | Relay (... Calculated Property | |
| ΔcH°liquid | -3295.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 75.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.27 | kJ/mol | Relay (... Calculated Property |
| ΔfH°liquid | -24.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 8.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -1.47 | Relay (... Calculated Property | |
| logPoct/wat | 1.510 | Crippen Calculated Property | |
| McVol | 72.710 | ml/mol | McGowan Calculated Property |
| Pc | 4379.97 | kPa | Joback Calculated Property |
| Inp | [695.00; 718.00] |
|
|
| Inp | 695.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 718.00 | NIST | |
| Tboil | 374.23 | K | Relay (... Calculated Property |
| Tc | 552.12 | K | Relay (... Calculated Property |
| Tfus | 196.52 | K | Relay (... Calculated Property |
| Vc | 0.258 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.68; 166.84] | J/mol×K | [340.82; 537.89] |
|
| Cp,gas | 115.68 | J/mol×K | 340.82 | Joback Calculated Property |
| Cp,gas | 125.45 | J/mol×K | 373.67 | Joback Calculated Property |
| Cp,gas | 134.70 | J/mol×K | 406.51 | Joback Calculated Property |
| Cp,gas | 143.43 | J/mol×K | 439.36 | Joback Calculated Property |
| Cp,gas | 151.68 | J/mol×K | 472.20 | Joback Calculated Property |
| Cp,gas | 159.48 | J/mol×K | 505.05 | Joback Calculated Property |
| Cp,gas | 166.84 | J/mol×K | 537.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Dimethylthiirane.
Sources
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