- InChI
- InChI=1S/C9H17NS/c1-3-4-5-6-9-10-7-8(2)11-9/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
- InChI Key
- RNXFXLBWILWRDA-IUCAKERBSA-N
- Formula
- C9H17NS
- SMILES
- CCCCCC1N=CC(C)S1
- Molecular Weight1
- 171.30
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 240.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 3.099 | Crippen Calculated Property | |
| McVol | 148.840 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Inp | 1345.00 | NIST | |
| Tboil | 516.62 | K | Joback Calculated Property |
| Tc | 733.72 | K | Joback Calculated Property |
| Tfus | 353.60 | K | Joback Calculated Property |
| Vc | 0.560 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.65; 449.22] | J/mol×K | [516.62; 733.72] | 
|
| Cp,gas | 353.65 | J/mol×K | 516.62 | Joback Calculated Property |
| Cp,gas | 371.94 | J/mol×K | 552.80 | Joback Calculated Property |
| Cp,gas | 389.27 | J/mol×K | 588.99 | Joback Calculated Property |
| Cp,gas | 405.64 | J/mol×K | 625.17 | Joback Calculated Property |
| Cp,gas | 421.08 | J/mol×K | 661.35 | Joback Calculated Property |
| Cp,gas | 435.60 | J/mol×K | 697.54 | Joback Calculated Property |
| Cp,gas | 449.22 | J/mol×K | 733.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-methyl-2-pentyl-3-thiazoline, trans.
Sources
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