- InChI
- InChI=1S/C10H19NS/c1-3-4-5-6-7-10-11-9(2)8-12-10/h10H,3-8H2,1-2H3
- InChI Key
- JPTKVCPJBACSLI-UHFFFAOYSA-N
- Formula
- C10H19NS
- SMILES
- CCCCCCC1N=C(C)CS1
- Molecular Weight1
- 185.33
- 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 | 0.4493 | Relay (1.0) Calculated Property | |
| ΔfG° | 246.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.491 | Crippen Calculated Property | |
| McVol | 162.930 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1478.00; 1483.00] |
|
|
| Inp | 1483.00 | NIST | |
| Inp | 1478.00 | NIST | |
| I | 1915.00 | NIST | |
| Tboil | 507.62 | K | Relay (1.0) Calculated Property |
| Tc | 730.94 | K | Relay (1.0) Calculated Property |
| Tfus | 262.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.26; 496.52] | J/mol×K | [549.15; 763.88] |
|
| Cp,gas | 401.26 | J/mol×K | 549.15 | Joback Calculated Property |
| Cp,gas | 419.51 | J/mol×K | 584.94 | Joback Calculated Property |
| Cp,gas | 436.78 | J/mol×K | 620.73 | Joback Calculated Property |
| Cp,gas | 453.10 | J/mol×K | 656.51 | Joback Calculated Property |
| Cp,gas | 468.48 | J/mol×K | 692.30 | Joback Calculated Property |
| Cp,gas | 482.95 | J/mol×K | 728.09 | Joback Calculated Property |
| Cp,gas | 496.52 | J/mol×K | 763.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-hexyl-4-methyl-3-thiazoline.
Sources
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