- InChI
- InChI=1S/C6H8S/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
- InChI Key
- JBWUENDATZQNBX-UHFFFAOYSA-N
- Formula
- C6H8S
- SMILES
- CC1=CC(=S)CC1
- Molecular Weight1
- 112.19
- CAS
- 30221-52-4
- Other Names
-
- 3-methyl-2-cyclopentene-1-thion
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 155.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.44 | Crippen Calculated Property | |
| logPoct/wat | 2.096 | Crippen Calculated Property | |
| McVol | 92.290 | ml/mol | McGowan Calculated Property |
| Pc | 4468.24 | kPa | Joback Calculated Property |
| I | 1260.00 | NIST | |
| Tboil | 433.41 | K | Joback Calculated Property |
| Tc | 659.63 | K | Joback Calculated Property |
| Tfus | 249.47 | K | Joback Calculated Property |
| Vc | 0.338 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.65; 213.90] | J/mol×K | [433.41; 659.63] | 
|
| Cp,gas | 161.65 | J/mol×K | 433.41 | Joback Calculated Property |
| Cp,gas | 172.07 | J/mol×K | 471.11 | Joback Calculated Property |
| Cp,gas | 181.73 | J/mol×K | 508.82 | Joback Calculated Property |
| Cp,gas | 190.70 | J/mol×K | 546.52 | Joback Calculated Property |
| Cp,gas | 199.01 | J/mol×K | 584.23 | Joback Calculated Property |
| Cp,gas | 206.72 | J/mol×K | 621.93 | Joback Calculated Property |
| Cp,gas | 213.90 | J/mol×K | 659.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-2-cyclopentene-1-thione.
Sources
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