- InChI
- InChI=1S/C8H15NS/c1-6(2)4-8-9-7(3)5-10-8/h6,8H,4-5H2,1-3H3
- InChI Key
- WGLZXNQVSYIJRY-UHFFFAOYSA-N
- Formula
- C8H15NS
- SMILES
- CC1=NC(CC(C)C)SC1
- Molecular Weight1
- 157.28
- 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 | 0.3439 | Relay (1.0) Calculated Property | |
| ΔfG° | 227.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -13.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.566 | Crippen Calculated Property | |
| McVol | 134.750 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | [1224.00; 1228.00] |
|
|
| Inp | 1228.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1228.00 | NIST | |
| I | 1630.00 | NIST | |
| Tboil | 455.65 | K | Relay (1.0) Calculated Property |
| Tc | 689.54 | K | Relay (1.0) Calculated Property |
| Tfus | 243.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.40; 396.39] | J/mol×K | [502.95; 730.35] |
|
| Cp,gas | 307.40 | J/mol×K | 502.95 | Joback Calculated Property |
| Cp,gas | 324.51 | J/mol×K | 540.85 | Joback Calculated Property |
| Cp,gas | 340.68 | J/mol×K | 578.75 | Joback Calculated Property |
| Cp,gas | 355.94 | J/mol×K | 616.65 | Joback Calculated Property |
| Cp,gas | 370.30 | J/mol×K | 654.55 | Joback Calculated Property |
| Cp,gas | 383.78 | J/mol×K | 692.45 | Joback Calculated Property |
| Cp,gas | 396.39 | J/mol×K | 730.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-isobutyl-4-methyl-3-thiazoline.
Sources
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