- InChI
- InChI=1S/C5H8S/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
- InChI Key
- ATVJJNGVPSKBGO-UHFFFAOYSA-N
- Formula
- C5H8S
- SMILES
- C1=CSCCC1
- Molecular Weight1
- 100.18
- CAS
- 13042-80-3
- Other Names
-
- Dihydrothiapyran
- 2,3-Dihydro-4H-thiopyran
- Thiacyclohex-2-ene
- 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).
- 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 | 0.1779 | Relay (1.0) Calculated Property | |
| ΔfG° | 93.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.027 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Pc | 4890.21 | kPa | Joback Calculated Property |
| Tboil | 407.06 | K | Relay (1.0) Calculated Property |
| Tc | 611.37 | K | Relay (1.0) Calculated Property |
| Tfus | 194.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.284 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.70; 191.52] | J/mol×K | [385.01; 612.80] | 
|
| Cp,gas | 129.70 | J/mol×K | 385.01 | Joback Calculated Property |
| Cp,gas | 141.80 | J/mol×K | 422.98 | Joback Calculated Property |
| Cp,gas | 153.14 | J/mol×K | 460.94 | Joback Calculated Property |
| Cp,gas | 163.75 | J/mol×K | 498.91 | Joback Calculated Property |
| Cp,gas | 173.66 | J/mol×K | 536.87 | Joback Calculated Property |
| Cp,gas | 182.91 | J/mol×K | 574.84 | Joback Calculated Property |
| Cp,gas | 191.52 | J/mol×K | 612.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Thiopyran, 3,4-dihydro-.
Sources
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