- InChI
- InChI=1S/C6H10S/c1-6-2-4-7-5-3-6/h1-5H2
- InChI Key
- BOJWREQWHOWAEL-UHFFFAOYSA-N
- Formula
- C6H10S
- SMILES
- C=C1CCSCC1
- Molecular Weight1
- 114.21
- CAS
- 50550-56-6
- Other Names
-
- Thiocyclohexane, 4-methylene
- 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 | 0.1935 | Relay (1.0) Calculated Property | |
| ΔfG° | 124.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 74.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | NIST |
| log10WS | -1.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.070 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | [920.00; 920.00] |
|
|
| Inp | 920.00 | NIST | |
| Inp | 920.00 | NIST | |
| I | [1203.00; 1203.00] |
|
|
| I | 1203.00 | NIST | |
| I | 1203.00 | NIST | |
| Tboil | 419.94 | K | Relay (1.0) Calculated Property |
| Tc | 645.19 | K | Relay (1.0) Calculated Property |
| Tfus | 241.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.312 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.11; 235.31] | J/mol×K | [407.89; 632.80] |
|
| Cp,gas | 167.11 | J/mol×K | 407.89 | Joback Calculated Property |
| Cp,gas | 180.23 | J/mol×K | 445.37 | Joback Calculated Property |
| Cp,gas | 192.62 | J/mol×K | 482.86 | Joback Calculated Property |
| Cp,gas | 204.29 | J/mol×K | 520.34 | Joback Calculated Property |
| Cp,gas | 215.28 | J/mol×K | 557.83 | Joback Calculated Property |
| Cp,gas | 225.61 | J/mol×K | 595.31 | Joback Calculated Property |
| Cp,gas | 235.31 | J/mol×K | 632.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiacyclohexane, 4-methylene.
Sources
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