- InChI
- InChI=1S/C6H8S/c1-6-4-2-3-5-7-6/h2-6H,1H3
- InChI Key
- OYDIECGUBNPZFY-UHFFFAOYSA-N
- Formula
- C6H8S
- SMILES
- CC1C=CC=CS1
- Molecular Weight1
- 112.19
- Other Names
-
- 2-Methyl-2H-thiapyrane
- 2-methyl-(2H)-thiapyran
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 123.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 47.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 2.192 | Crippen Calculated Property | |
| McVol | 92.290 | ml/mol | McGowan Calculated Property |
| Pc | 4311.22 | kPa | Joback Calculated Property |
| Inp | [912.00; 915.00] |
|
|
| Inp | 913.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 915.00 | NIST | |
| I | 1290.00 | NIST | |
| Tboil | 402.38 | K | Joback Calculated Property |
| Tc | 629.56 | K | Joback Calculated Property |
| Tfus | 249.73 | K | Joback Calculated Property |
| Vc | 0.323 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.62; 218.24] | J/mol×K | [402.38; 629.56] |
|
| Cp,gas | 154.62 | J/mol×K | 402.38 | Joback Calculated Property |
| Cp,gas | 167.00 | J/mol×K | 440.24 | Joback Calculated Property |
| Cp,gas | 178.64 | J/mol×K | 478.11 | Joback Calculated Property |
| Cp,gas | 189.55 | J/mol×K | 515.97 | Joback Calculated Property |
| Cp,gas | 199.77 | J/mol×K | 553.83 | Joback Calculated Property |
| Cp,gas | 209.32 | J/mol×K | 591.70 | Joback Calculated Property |
| Cp,gas | 218.24 | J/mol×K | 629.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Thiapyrane, 2-methyl.
Sources
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