![Benzene, [2-[(1-methylethyl)thio]ethyl]-](/cid/56-869-6/Benzene-2-1-methylethyl-thio-ethyl.png "Benzene, [2-[(1-methylethyl)thio]ethyl]-")
- InChI
- InChI=1S/C11H16S/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- InChI Key
- MJLYFFRRKQGUDV-UHFFFAOYSA-N
- Formula
- C11H16S
- SMILES
- CC(C)SCCc1ccccc1
- Molecular Weight1
- 180.31
- CAS
- 54576-42-0
- Other Names
-
- 2-(1-Methylethylthio)ethylbenzene
- 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 |
|---|---|---|---|
| ΔfG° | 184.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 2.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.78 | kJ/mol | Joback Calculated Property |
| IE | [8.00; 8.26] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.26 | eV | NIST |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 3.371 | Crippen Calculated Property | |
| McVol | 158.440 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Tboil | 546.10 | K | Joback Calculated Property |
| Tc | 773.53 | K | Joback Calculated Property |
| Tfus | 259.55 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.19; 441.26] | J/mol×K | [546.10; 773.53] |
|
| Cp,gas | 356.19 | J/mol×K | 546.10 | Joback Calculated Property |
| Cp,gas | 372.85 | J/mol×K | 584.01 | Joback Calculated Property |
| Cp,gas | 388.47 | J/mol×K | 621.91 | Joback Calculated Property |
| Cp,gas | 403.08 | J/mol×K | 659.82 | Joback Calculated Property |
| Cp,gas | 416.73 | J/mol×K | 697.72 | Joback Calculated Property |
| Cp,gas | 429.44 | J/mol×K | 735.63 | Joback Calculated Property |
| Cp,gas | 441.26 | J/mol×K | 773.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, [2-[(1-methylethyl)thio]ethyl]-.
Sources
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