- InChI
- InChI=1S/C5H9NS/c1-4-3-6-5(2)7-4/h3-5H,1-2H3
- InChI Key
- VPUJUMSZUQCZNQ-UHFFFAOYSA-N
- Formula
- C5H9NS
- SMILES
- CC1C=NC(C)S1
- Molecular Weight1
- 115.20
- 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 | 0.2527 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 34.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.538 | Crippen Calculated Property | |
| McVol | 92.480 | ml/mol | McGowan Calculated Property |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Inp | [962.00; 975.00] |
|
|
| Inp | 975.00 | NIST | |
| Inp | 962.00 | NIST | |
| I | 1425.00 | NIST | |
| Tboil | 394.69 | K | Relay (1.0) Calculated Property |
| Tc | 634.73 | K | Relay (1.0) Calculated Property |
| Tfus | 251.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.331 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.69; 253.52] | J/mol×K | [425.10; 656.38] |
|
| Cp,gas | 180.69 | J/mol×K | 425.10 | Joback Calculated Property |
| Cp,gas | 194.56 | J/mol×K | 463.65 | Joback Calculated Property |
| Cp,gas | 207.73 | J/mol×K | 502.19 | Joback Calculated Property |
| Cp,gas | 220.21 | J/mol×K | 540.74 | Joback Calculated Property |
| Cp,gas | 232.00 | J/mol×K | 579.29 | Joback Calculated Property |
| Cp,gas | 243.10 | J/mol×K | 617.84 | Joback Calculated Property |
| Cp,gas | 253.52 | J/mol×K | 656.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl-3-thiazoline.
Sources
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