- InChI
- InChI=1S/C8H15NS/c1-3-4-5-8-9-7(2)6-10-8/h8H,3-6H2,1-2H3
- InChI Key
- FQYKDIIJARQCAP-UHFFFAOYSA-N
- Formula
- C8H15NS
- SMILES
- CCCCC1N=C(C)CS1
- Molecular Weight1
- 157.28
- 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 | 0.3623 | Relay (1.0) Calculated Property | |
| ΔfG° | 230.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.710 | Crippen Calculated Property | |
| McVol | 134.750 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Inp | [1266.00; 1272.00] |
|
|
| Inp | 1272.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1266.00 | NIST | |
| I | 1698.00 | NIST | |
| Tboil | 469.67 | K | Relay (1.0) Calculated Property |
| Tc | 697.29 | K | Relay (1.0) Calculated Property |
| Tfus | 240.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.19; 394.10] | J/mol×K | [503.39; 725.54] |
|
| Cp,gas | 307.19 | J/mol×K | 503.39 | Joback Calculated Property |
| Cp,gas | 323.82 | J/mol×K | 540.41 | Joback Calculated Property |
| Cp,gas | 339.57 | J/mol×K | 577.44 | Joback Calculated Property |
| Cp,gas | 354.46 | J/mol×K | 614.46 | Joback Calculated Property |
| Cp,gas | 368.50 | J/mol×K | 651.49 | Joback Calculated Property |
| Cp,gas | 381.70 | J/mol×K | 688.51 | Joback Calculated Property |
| Cp,gas | 394.10 | J/mol×K | 725.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-butyl-4-methyl-3-thiazoline.
Sources
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