- InChI
- InChI=1S/C13H25NS/c1-3-5-6-7-8-9-10-13-14-12(4-2)11-15-13/h13H,3-11H2,1-2H3
- InChI Key
- VNKFGOKLMGCTSS-UHFFFAOYSA-N
- Formula
- C13H25NS
- SMILES
- CCCCCCCCC1N=C(CC)CS1
- Molecular Weight1
- 227.41
- 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.
- 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° | 272.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.661 | Crippen Calculated Property | |
| McVol | 205.200 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | 1775.00 | NIST | |
| Tboil | 617.79 | K | Joback Calculated Property |
| Tc | 822.44 | K | Joback Calculated Property |
| Tfus | 415.44 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.87; 658.00] | J/mol×K | [617.79; 822.44] | 
|
| Cp,gas | 554.87 | J/mol×K | 617.79 | Joback Calculated Property |
| Cp,gas | 574.64 | J/mol×K | 651.90 | Joback Calculated Property |
| Cp,gas | 593.35 | J/mol×K | 686.01 | Joback Calculated Property |
| Cp,gas | 611.01 | J/mol×K | 720.11 | Joback Calculated Property |
| Cp,gas | 627.65 | J/mol×K | 754.22 | Joback Calculated Property |
| Cp,gas | 643.31 | J/mol×K | 788.33 | Joback Calculated Property |
| Cp,gas | 658.00 | J/mol×K | 822.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-ethyl-2-octyl-3-thiazoline.
Sources
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