- InChI
- InChI=1S/C11H21NS/c1-3-5-6-7-8-11-12-10(4-2)9-13-11/h11H,3-9H2,1-2H3
- InChI Key
- UJDBDFIKGHVRKM-UHFFFAOYSA-N
- Formula
- C11H21NS
- SMILES
- CCCCCCC1N=C(CC)CS1
- Molecular Weight1
- 199.36
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 255.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 3.881 | Crippen Calculated Property | |
| McVol | 177.020 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | [1558.00; 1563.00] |
|
|
| Inp | 1563.00 | NIST | |
| Inp | 1558.00 | NIST | |
| I | 1955.00 | NIST | |
| Tboil | 572.03 | K | Joback Calculated Property |
| Tc | 783.21 | K | Joback Calculated Property |
| Tfus | 392.90 | K | Joback Calculated Property |
| Vc | 0.673 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.90; 549.33] | J/mol×K | [572.03; 783.21] |
|
| Cp,gas | 450.90 | J/mol×K | 572.03 | Joback Calculated Property |
| Cp,gas | 469.76 | J/mol×K | 607.23 | Joback Calculated Property |
| Cp,gas | 487.61 | J/mol×K | 642.42 | Joback Calculated Property |
| Cp,gas | 504.47 | J/mol×K | 677.62 | Joback Calculated Property |
| Cp,gas | 520.36 | J/mol×K | 712.81 | Joback Calculated Property |
| Cp,gas | 535.31 | J/mol×K | 748.01 | Joback Calculated Property |
| Cp,gas | 549.33 | J/mol×K | 783.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-ethyl-2-hexyl-3-thiazoline.
Sources
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