- InChI
- InChI=1S/C11H21NS/c1-4-6-7-8-11-12-10(5-2)9(3)13-11/h9,11H,4-8H2,1-3H3/t9-,11+/m1/s1
- InChI Key
- ZHVXHJIJBSMTDB-KOLCDFICSA-N
- Formula
- C11H21NS
- SMILES
- CCCCCC1N=C(CC)C(C)S1
- Molecular Weight1
- 199.36
- Other Names
-
- 4-ethyl-5-methyl-2-pentyl-3-thiazoline, cis
- 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 | 0.4310 | Relay (1.0) Calculated Property | |
| ΔfG° | 247.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.879 | Crippen Calculated Property | |
| McVol | 177.020 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Inp | [1465.00; 1469.00] |
|
|
| Inp | 1469.00 | NIST | |
| Inp | 1465.00 | NIST | |
| I | 1797.00 | NIST | |
| Tboil | 500.43 | K | Relay (1.0) Calculated Property |
| Tc | 729.39 | K | Relay (1.0) Calculated Property |
| Tfus | 278.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.92; 553.08] | J/mol×K | [567.36; 778.45] |
|
| Cp,gas | 451.92 | J/mol×K | 567.36 | Joback Calculated Property |
| Cp,gas | 471.24 | J/mol×K | 602.54 | Joback Calculated Property |
| Cp,gas | 489.55 | J/mol×K | 637.72 | Joback Calculated Property |
| Cp,gas | 506.88 | J/mol×K | 672.90 | Joback Calculated Property |
| Cp,gas | 523.23 | J/mol×K | 708.09 | Joback Calculated Property |
| Cp,gas | 538.63 | J/mol×K | 743.27 | Joback Calculated Property |
| Cp,gas | 553.08 | J/mol×K | 778.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-pentyl-4-ethyl-5-methyl-3-thiazoline, cis.
Sources
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