- InChI
- InChI=1S/C12H22S/c1-3-5-7-11-9-12(13-10-11)8-6-4-2/h9,12H,3-8,10H2,1-2H3
- InChI Key
- XLEWMXIITDXLON-UHFFFAOYSA-N
- Formula
- C12H22S
- SMILES
- CCCCC1=CC(CCCC)SC1
- Molecular Weight1
- 198.37
- 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 | 0.4109 | Relay (1.0) Calculated Property | |
| ΔfG° | 146.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.409 | Crippen Calculated Property | |
| McVol | 181.130 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| I | 1573.00 | NIST | |
| Tboil | 528.51 | K | Relay (1.0) Calculated Property |
| Tc | 714.21 | K | Relay (1.0) Calculated Property |
| Tfus | 228.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.59; 528.71] | J/mol×K | [541.21; 741.19] | 
|
| Cp,gas | 432.59 | J/mol×K | 541.21 | Joback Calculated Property |
| Cp,gas | 450.83 | J/mol×K | 574.54 | Joback Calculated Property |
| Cp,gas | 468.13 | J/mol×K | 607.87 | Joback Calculated Property |
| Cp,gas | 484.54 | J/mol×K | 641.20 | Joback Calculated Property |
| Cp,gas | 500.08 | J/mol×K | 674.53 | Joback Calculated Property |
| Cp,gas | 514.80 | J/mol×K | 707.86 | Joback Calculated Property |
| Cp,gas | 528.71 | J/mol×K | 741.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dibutyl-2,5-dihydro-thiophene.
Sources
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