- InChI
- InChI=1S/C8H17NS/c1-3-4-5-8(2)9-6-7-10-8/h9H,3-7H2,1-2H3
- InChI Key
- FRQZYPALTIYXIY-UHFFFAOYSA-N
- Formula
- C8H17NS
- SMILES
- CCCCC1(C)NCCS1
- Molecular Weight1
- 159.29
- CAS
- 697-42-7
- 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).
- 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 | 0.3771 | Relay (... Calculated Property | |
| ΔfG° | 175.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.11 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -1.73 | Relay (... Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 139.050 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| I | [1675.00; 1675.00] |
|
|
| I | 1675.00 | NIST | |
| I | 1675.00 | NIST | |
| Tboil | 481.82 | K | Relay (... Calculated Property |
| Tc | 689.83 | K | Relay (... Calculated Property |
| Tfus | 266.27 | K | Relay (... Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.81; 393.63] | J/mol×K | [494.34; 718.22] |
|
| Cp,gas | 307.81 | J/mol×K | 494.34 | Joback Calculated Property |
| Cp,gas | 324.45 | J/mol×K | 531.65 | Joback Calculated Property |
| Cp,gas | 339.99 | J/mol×K | 568.97 | Joback Calculated Property |
| Cp,gas | 354.56 | J/mol×K | 606.28 | Joback Calculated Property |
| Cp,gas | 368.27 | J/mol×K | 643.59 | Joback Calculated Property |
| Cp,gas | 381.25 | J/mol×K | 680.91 | Joback Calculated Property |
| Cp,gas | 393.63 | J/mol×K | 718.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-butyl-2-methylthiazolidine.
Sources
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