- InChI
- InChI=1S/C9H17NS/c1-3-4-5-6-9-10-8(2)7-11-9/h9H,3-7H2,1-2H3
- InChI Key
- RBIUXEMZVMJJOG-UHFFFAOYSA-N
- Formula
- C9H17NS
- SMILES
- CCCCCC1N=C(C)CS1
- Molecular Weight1
- 171.30
- 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 | 0.4050 | Relay (1.0) Calculated Property | |
| ΔfG° | 238.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -41.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.101 | Crippen Calculated Property | |
| McVol | 148.840 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | [1372.00; 1377.00] |
|
|
| Inp | 1377.00 | NIST | |
| Inp | 1372.00 | NIST | |
| Inp | 1372.00 | NIST | |
| Inp | 1377.00 | NIST | |
| I | [1804.00; 1804.00] |
|
|
| I | 1804.00 | NIST | |
| I | 1804.00 | NIST | |
| Tboil | 488.58 | K | Relay (1.0) Calculated Property |
| Tc | 714.27 | K | Relay (1.0) Calculated Property |
| Tfus | 252.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.32; 444.77] | J/mol×K | [526.27; 744.67] |
|
| Cp,gas | 353.32 | J/mol×K | 526.27 | Joback Calculated Property |
| Cp,gas | 370.83 | J/mol×K | 562.67 | Joback Calculated Property |
| Cp,gas | 387.41 | J/mol×K | 599.07 | Joback Calculated Property |
| Cp,gas | 403.07 | J/mol×K | 635.47 | Joback Calculated Property |
| Cp,gas | 417.84 | J/mol×K | 671.87 | Joback Calculated Property |
| Cp,gas | 431.73 | J/mol×K | 708.27 | Joback Calculated Property |
| Cp,gas | 444.77 | J/mol×K | 744.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-2-pentyl-3-thiazoline.
Sources
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