- InChI
- InChI=1S/C8H17NS/c1-7(2)3-4-8-9-5-6-10-8/h7-9H,3-6H2,1-2H3
- InChI Key
- BWFMCOLWSAFHSF-UHFFFAOYSA-N
- Formula
- C8H17NS
- SMILES
- CC(C)CCC1NCCS1
- Molecular Weight1
- 159.29
- 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 | 0.3890 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.085 | Crippen Calculated Property | |
| McVol | 139.050 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| I | [1752.00; 1752.00] |
|
|
| I | 1752.00 | NIST | |
| I | 1752.00 | NIST | |
| Tboil | 498.75 | K | Relay (1.0) Calculated Property |
| Tc | 698.35 | K | Relay (1.0) Calculated Property |
| Tfus | 283.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.72; 397.31] | J/mol×K | [493.66; 713.18] |
|
| Cp,gas | 307.72 | J/mol×K | 493.66 | Joback Calculated Property |
| Cp,gas | 324.85 | J/mol×K | 530.25 | Joback Calculated Property |
| Cp,gas | 341.06 | J/mol×K | 566.83 | Joback Calculated Property |
| Cp,gas | 356.38 | J/mol×K | 603.42 | Joback Calculated Property |
| Cp,gas | 370.85 | J/mol×K | 640.01 | Joback Calculated Property |
| Cp,gas | 384.48 | J/mol×K | 676.59 | Joback Calculated Property |
| Cp,gas | 397.31 | J/mol×K | 713.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-isopentylthiazolidine.
Sources
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