- InChI
- InChI=1S/C12H23NS/c1-3-4-5-6-7-8-9-12-13-11(2)10-14-12/h12H,3-10H2,1-2H3
- InChI Key
- BVJQPECTWJHPSN-UHFFFAOYSA-N
- Formula
- C12H23NS
- SMILES
- CCCCCCCCC1N=C(C)CS1
- Molecular Weight1
- 213.38
- Other Names
-
- 4-methyl-2-octyl-3-thiazoline
- 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 | 0.5351 | Relay (1.0) Calculated Property | |
| ΔfG° | 263.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.271 | Crippen Calculated Property | |
| McVol | 191.110 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Inp | [1678.00; 1699.00] |
|
|
| Inp | 1699.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1691.00 | NIST | |
| I | [2138.00; 2138.00] |
|
|
| I | 2138.00 | NIST | |
| I | 2138.00 | NIST | |
| Tboil | 540.23 | K | Relay (1.0) Calculated Property |
| Tc | 760.41 | K | Relay (1.0) Calculated Property |
| Tfus | 280.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.14; 603.17] | J/mol×K | [594.91; 802.71] |
|
| Cp,gas | 502.14 | J/mol×K | 594.91 | Joback Calculated Property |
| Cp,gas | 521.50 | J/mol×K | 629.54 | Joback Calculated Property |
| Cp,gas | 539.82 | J/mol×K | 664.18 | Joback Calculated Property |
| Cp,gas | 557.13 | J/mol×K | 698.81 | Joback Calculated Property |
| Cp,gas | 573.43 | J/mol×K | 733.44 | Joback Calculated Property |
| Cp,gas | 588.77 | J/mol×K | 768.08 | Joback Calculated Property |
| Cp,gas | 603.17 | J/mol×K | 802.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-octyl-4-methyl-3-thiazoline.
Sources
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