- InChI
- InChI=1S/C15H29NS/c1-4-6-7-8-9-10-11-12-15-16-14(5-2)13(3)17-15/h13,15H,4-12H2,1-3H3/t13-,15+/m1/s1
- InChI Key
- YTQOHMULGJNNJJ-HIFRSBDPSA-N
- Formula
- C15H29NS
- SMILES
- CCCCCCCCCC1N=C(CC)C(C)S1
- Molecular Weight1
- 255.46
- 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° | 281.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.76 | Crippen Calculated Property | |
| logPoct/wat | 5.439 | Crippen Calculated Property | |
| McVol | 233.380 | ml/mol | McGowan Calculated Property |
| Pc | 1606.42 | kPa | Joback Calculated Property |
| Inp | 1883.00 | NIST | |
| Tboil | 658.88 | K | Joback Calculated Property |
| Tc | 857.96 | K | Joback Calculated Property |
| Tfus | 433.74 | K | Joback Calculated Property |
| Vc | 0.896 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.98; 774.63] | J/mol×K | [658.88; 857.96] | 
|
| Cp,gas | 665.98 | J/mol×K | 658.88 | Joback Calculated Property |
| Cp,gas | 686.81 | J/mol×K | 692.06 | Joback Calculated Property |
| Cp,gas | 706.52 | J/mol×K | 725.24 | Joback Calculated Property |
| Cp,gas | 725.14 | J/mol×K | 758.42 | Joback Calculated Property |
| Cp,gas | 742.68 | J/mol×K | 791.60 | Joback Calculated Property |
| Cp,gas | 759.17 | J/mol×K | 824.78 | Joback Calculated Property |
| Cp,gas | 774.63 | J/mol×K | 857.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-nonyl-4-ethyl-5-methyl-3-thiazoline, cis.
Sources
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