- InChI
- InChI=1S/C6H14N2OS/c1-5(10)6(9)8-4-2-3-7/h5,10H,2-4,7H2,1H3,(H,8,9)
- InChI Key
- SZRLWIWKHLYZHF-UHFFFAOYSA-N
- Formula
- C6H14N2OS
- SMILES
- CC(S)C(=O)NCCCN
- Molecular Weight1
- 162.25
- CAS
- 816-77-3
- 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° | 53.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.12 | kJ/mol | Joback Calculated Property |
| log10WS | -0.92 | Crippen Calculated Property | |
| logPoct/wat | -0.230 | Crippen Calculated Property | |
| McVol | 133.280 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Tboil | 575.67 | K | Joback Calculated Property |
| Tc | 792.32 | K | Joback Calculated Property |
| Tfus | 364.69 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.89; 378.10] | J/mol×K | [575.67; 792.32] | 
|
| Cp,gas | 317.89 | J/mol×K | 575.67 | Joback Calculated Property |
| Cp,gas | 329.54 | J/mol×K | 611.78 | Joback Calculated Property |
| Cp,gas | 340.51 | J/mol×K | 647.89 | Joback Calculated Property |
| Cp,gas | 350.83 | J/mol×K | 683.99 | Joback Calculated Property |
| Cp,gas | 360.52 | J/mol×K | 720.10 | Joback Calculated Property |
| Cp,gas | 369.60 | J/mol×K | 756.21 | Joback Calculated Property |
| Cp,gas | 378.10 | J/mol×K | 792.32 | Joback Calculated Property |
Similar Compounds
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