- InChI
- InChI=1S/C6H13NOS/c1-3-5-8-6(9)7-4-2/h3-5H2,1-2H3,(H,7,9)
- InChI Key
- SWDYQJANDQUWFH-UHFFFAOYSA-N
- Formula
- C6H13NOS
- SMILES
- CCCOC(=S)NCC
- 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.
- 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 | 0.4706 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.307 | Crippen Calculated Property | |
| McVol | 123.300 | ml/mol | McGowan Calculated Property |
| Pc | 3435.91 | kPa | Joback Calculated Property |
| Inp | 1219.00 | NIST | |
| I | 1970.00 | NIST | |
| Tboil | 472.89 | K | Relay (1.0) Calculated Property |
| Tc | 667.06 | K | Relay (1.0) Calculated Property |
| Tfus | 255.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.61; 314.78] | J/mol×K | [479.31; 675.64] | 
|
| Cp,gas | 256.61 | J/mol×K | 479.31 | Joback Calculated Property |
| Cp,gas | 267.63 | J/mol×K | 512.03 | Joback Calculated Property |
| Cp,gas | 278.09 | J/mol×K | 544.75 | Joback Calculated Property |
| Cp,gas | 288.01 | J/mol×K | 577.47 | Joback Calculated Property |
| Cp,gas | 297.41 | J/mol×K | 610.19 | Joback Calculated Property |
| Cp,gas | 306.33 | J/mol×K | 642.92 | Joback Calculated Property |
| Cp,gas | 314.78 | J/mol×K | 675.64 | Joback Calculated Property |
Similar Compounds
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Sources
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