- InChI
- InChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h4H,2-3,5H2,1H3
- InChI Key
- VBOZZIMZLMYLBC-UHFFFAOYSA-N
- Formula
- C6H10S
- SMILES
- CCC1=CCCS1
- Molecular Weight1
- 114.21
- Other Names
-
- 4,5-dihydro-2-ethylthiophene
- 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).
- 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 | 0.2108 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 34.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.417 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 4077.71 | kPa | Joback Calculated Property |
| I | [1362.00; 1368.00] |
|
|
| I | 1362.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1362.00 | NIST | |
| Tboil | 425.83 | K | Relay (1.0) Calculated Property |
| Tc | 612.05 | K | Relay (1.0) Calculated Property |
| Tfus | 197.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.78; 232.04] | J/mol×K | [408.60; 626.01] |
|
| Cp,gas | 169.78 | J/mol×K | 408.60 | Joback Calculated Property |
| Cp,gas | 181.81 | J/mol×K | 444.84 | Joback Calculated Property |
| Cp,gas | 193.14 | J/mol×K | 481.07 | Joback Calculated Property |
| Cp,gas | 203.80 | J/mol×K | 517.31 | Joback Calculated Property |
| Cp,gas | 213.81 | J/mol×K | 553.54 | Joback Calculated Property |
| Cp,gas | 223.22 | J/mol×K | 589.78 | Joback Calculated Property |
| Cp,gas | 232.04 | J/mol×K | 626.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-4,5-dihydrothiophene.
Sources
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