- InChI
- InChI=1S/C5H9NS/c1-4-3-6-5(2)7-4/h4H,3H2,1-2H3
- InChI Key
- QURBTAPQPXENJD-UHFFFAOYSA-N
- Formula
- C5H9NS
- SMILES
- CC1=NCC(C)S1
- Molecular Weight1
- 115.20
- CAS
- 4146-19-4
- Other Names
-
- 2,5-Dimethyl-delta
- 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).
- 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° | 204.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 76.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.96 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.540 | Crippen Calculated Property | |
| McVol | 92.480 | ml/mol | McGowan Calculated Property |
| Pc | 4432.62 | kPa | Joback Calculated Property |
| Tboil | 434.75 | K | Joback Calculated Property |
| Tc | 667.99 | K | Joback Calculated Property |
| Tfus | 325.28 | K | Joback Calculated Property |
| Vc | 0.338 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.71; 249.02] | J/mol×K | [434.75; 667.99] | 
|
| Cp,gas | 180.71 | J/mol×K | 434.75 | Joback Calculated Property |
| Cp,gas | 193.73 | J/mol×K | 473.62 | Joback Calculated Property |
| Cp,gas | 206.08 | J/mol×K | 512.50 | Joback Calculated Property |
| Cp,gas | 217.78 | J/mol×K | 551.37 | Joback Calculated Property |
| Cp,gas | 228.84 | J/mol×K | 590.24 | Joback Calculated Property |
| Cp,gas | 239.24 | J/mol×K | 629.12 | Joback Calculated Property |
| Cp,gas | 249.02 | J/mol×K | 667.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethyl-delta^2-thiazoline.
Sources
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