- InChI
- InChI=1S/C10H19NS/c1-4-5-6-7-10-11-8(2)9(3)12-10/h9-10H,4-7H2,1-3H3/t9-,10-/m0/s1
- InChI Key
- GBAKIVDQFZQMSK-UWVGGRQHSA-N
- Formula
- C10H19NS
- SMILES
- CCCCCC1N=C(C)C(C)S1
- Molecular Weight1
- 185.33
- 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 | 0.4092 | Relay (1.0) Calculated Property | |
| ΔfG° | 239.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -89.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.489 | Crippen Calculated Property | |
| McVol | 162.930 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | [1407.00; 1412.00] |
|
|
| Inp | 1412.00 | NIST | |
| Inp | 1407.00 | NIST | |
| Inp | 1407.00 | NIST | |
| I | [1787.00; 1787.00] |
|
|
| I | 1787.00 | NIST | |
| I | 1787.00 | NIST | |
| Tboil | 492.51 | K | Relay (1.0) Calculated Property |
| Tc | 715.11 | K | Relay (1.0) Calculated Property |
| Tfus | 260.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.20; 500.19] | J/mol×K | [544.48; 759.10] |
|
| Cp,gas | 402.20 | J/mol×K | 544.48 | Joback Calculated Property |
| Cp,gas | 420.89 | J/mol×K | 580.25 | Joback Calculated Property |
| Cp,gas | 438.62 | J/mol×K | 616.02 | Joback Calculated Property |
| Cp,gas | 455.40 | J/mol×K | 651.79 | Joback Calculated Property |
| Cp,gas | 471.25 | J/mol×K | 687.56 | Joback Calculated Property |
| Cp,gas | 486.18 | J/mol×K | 723.33 | Joback Calculated Property |
| Cp,gas | 500.19 | J/mol×K | 759.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-dimethyl-2-pentyl-3-thiazoline, trans.
Sources
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