- InChI
- InChI=1S/C6H11NS/c1-3-6-4-7-5(2)8-6/h6H,3-4H2,1-2H3
- InChI Key
- WZHHQLRZEQZVSD-UHFFFAOYSA-N
- Formula
- C6H11NS
- SMILES
- CCC1CN=C(C)S1
- Molecular Weight1
- 129.22
- CAS
- 4293-62-3
- Other Names
-
- 5-Ethyl-2-methyl-delta
- 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).
- 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 | 0.2846 | Relay (1.0) Calculated Property | |
| ΔfG° | 213.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 18.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.930 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 3916.03 | kPa | Joback Calculated Property |
| Tboil | 441.43 | K | Relay (1.0) Calculated Property |
| Tc | 643.44 | K | Relay (1.0) Calculated Property |
| Tfus | 252.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.369 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.77; 296.17] | J/mol×K | [457.63; 687.26] | 
|
| Cp,gas | 220.77 | J/mol×K | 457.63 | Joback Calculated Property |
| Cp,gas | 235.16 | J/mol×K | 495.90 | Joback Calculated Property |
| Cp,gas | 248.82 | J/mol×K | 534.17 | Joback Calculated Property |
| Cp,gas | 261.73 | J/mol×K | 572.45 | Joback Calculated Property |
| Cp,gas | 273.93 | J/mol×K | 610.72 | Joback Calculated Property |
| Cp,gas | 285.40 | J/mol×K | 648.99 | Joback Calculated Property |
| Cp,gas | 296.17 | J/mol×K | 687.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Ethyl-2-methyl-delta^2-thiazoline.
Sources
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