- InChI
- InChI=1S/C13H25NS/c1-3-5-6-7-8-9-10-13-14-11-12(4-2)15-13/h11-13H,3-10H2,1-2H3
- InChI Key
- HWOQPDRUEFXJEK-UHFFFAOYSA-N
- Formula
- C13H25NS
- SMILES
- CCCCCCCCC1N=CC(CC)S1
- Molecular Weight1
- 227.41
- 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.
- 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 | 0.5410 | Relay (1.0) Calculated Property | |
| ΔfG° | 274.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.659 | Crippen Calculated Property | |
| McVol | 205.200 | ml/mol | McGowan Calculated Property |
| Pc | 1910.24 | kPa | Joback Calculated Property |
| Inp | 1765.00 | NIST | |
| Tboil | 543.93 | K | Relay (1.0) Calculated Property |
| Tc | 762.44 | K | Relay (1.0) Calculated Property |
| Tfus | 283.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.756 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.74; 662.50] | J/mol×K | [608.14; 811.77] | 
|
| Cp,gas | 555.74 | J/mol×K | 608.14 | Joback Calculated Property |
| Cp,gas | 576.22 | J/mol×K | 642.08 | Joback Calculated Property |
| Cp,gas | 595.59 | J/mol×K | 676.02 | Joback Calculated Property |
| Cp,gas | 613.88 | J/mol×K | 709.95 | Joback Calculated Property |
| Cp,gas | 631.11 | J/mol×K | 743.89 | Joback Calculated Property |
| Cp,gas | 647.31 | J/mol×K | 777.83 | Joback Calculated Property |
| Cp,gas | 662.50 | J/mol×K | 811.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-ethyl-2-octyl-3-thiazoline.
Sources
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