- InChI
- InChI=1S/C6H13NOS/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3
- InChI Key
- HINMBHROYKGEJD-UHFFFAOYSA-N
- Formula
- C6H13NOS
- SMILES
- CC1NC(C)SC(C)O1
- Molecular Weight1
- 147.24
- 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.
- 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 | 0.3001 | Relay (1.0) Calculated Property | |
| ΔfG° | 50.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.377 | Crippen Calculated Property | |
| McVol | 116.740 | ml/mol | McGowan Calculated Property |
| Pc | 3695.46 | kPa | Joback Calculated Property |
| Inp | 992.00 | NIST | |
| Tboil | 447.40 | K | Relay (1.0) Calculated Property |
| Tc | 646.03 | K | Relay (1.0) Calculated Property |
| Tfus | 326.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.17; 334.98] | J/mol×K | [470.22; 698.44] | 
|
| Cp,gas | 251.17 | J/mol×K | 470.22 | Joback Calculated Property |
| Cp,gas | 266.94 | J/mol×K | 508.26 | Joback Calculated Property |
| Cp,gas | 282.00 | J/mol×K | 546.29 | Joback Calculated Property |
| Cp,gas | 296.35 | J/mol×K | 584.33 | Joback Calculated Property |
| Cp,gas | 309.96 | J/mol×K | 622.37 | Joback Calculated Property |
| Cp,gas | 322.84 | J/mol×K | 660.41 | Joback Calculated Property |
| Cp,gas | 334.98 | J/mol×K | 698.44 | Joback Calculated Property |
Similar Compounds
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Sources
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