- InChI
- InChI=1S/C7H14S/c1-2-7-4-3-5-8-6-7/h7H,2-6H2,1H3
- InChI Key
- CIMHGPVZHGEPEP-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- CCC1CCCSC1
- Molecular Weight1
- 130.25
- CAS
- 61568-48-7
- Other Names
-
- 3-Ethyltetrahydro-2H-thiopyran
- 3-Ethyl-thiacyclohexane
- 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.
- 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° | 72.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| Inp | [1047.00; 1047.00] |
|
|
| Inp | 1047.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Tboil | 426.94 | K | Joback Calculated Property |
| Tc | 646.42 | K | Joback Calculated Property |
| Tfus | 259.48 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.37; 306.93] | J/mol×K | [426.94; 646.42] |
|
| Cp,gas | 220.37 | J/mol×K | 426.94 | Joback Calculated Property |
| Cp,gas | 236.92 | J/mol×K | 463.52 | Joback Calculated Property |
| Cp,gas | 252.59 | J/mol×K | 500.10 | Joback Calculated Property |
| Cp,gas | 267.39 | J/mol×K | 536.68 | Joback Calculated Property |
| Cp,gas | 281.37 | J/mol×K | 573.26 | Joback Calculated Property |
| Cp,gas | 294.54 | J/mol×K | 609.84 | Joback Calculated Property |
| Cp,gas | 306.93 | J/mol×K | 646.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethylthiane.
Sources
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