- InChI
- InChI=1S/C6H10OS/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
- InChI Key
- YPNRVDPNXSBRDG-UHFFFAOYSA-N
- Formula
- C6H10OS
- SMILES
- CCC1CCC(=O)S1
- Molecular Weight1
- 130.21
- 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.
- I : 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 | 0.3151 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.819 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 3980.54 | kPa | Joback Calculated Property |
| Inp | [1094.00; 1094.00] |
|
|
| Inp | 1094.00 | NIST | |
| Inp | 1094.00 | NIST | |
| I | [1697.00; 1697.00] |
|
|
| I | 1697.00 | NIST | |
| I | 1697.00 | NIST | |
| Tboil | 481.98 | K | Relay (1.0) Calculated Property |
| Tc | 674.77 | K | Relay (1.0) Calculated Property |
| Tfus | 228.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.346 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.93; 279.76] | J/mol×K | [467.61; 701.03] |
|
| Cp,gas | 207.93 | J/mol×K | 467.61 | Joback Calculated Property |
| Cp,gas | 221.51 | J/mol×K | 506.51 | Joback Calculated Property |
| Cp,gas | 234.44 | J/mol×K | 545.42 | Joback Calculated Property |
| Cp,gas | 246.74 | J/mol×K | 584.32 | Joback Calculated Property |
| Cp,gas | 258.39 | J/mol×K | 623.22 | Joback Calculated Property |
| Cp,gas | 269.40 | J/mol×K | 662.12 | Joback Calculated Property |
| Cp,gas | 279.76 | J/mol×K | 701.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-ethyldihydro-2(3H)-thiophenone.
Sources
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