- InChI
- InChI=1S/C8H17NS2/c1-5-9(6-2)8(10)11-7(3)4/h7H,5-6H2,1-4H3
- InChI Key
- AIFGNPOVOGXDOJ-UHFFFAOYSA-N
- Formula
- C8H17NS2
- SMILES
- CCN(CC)C(=S)SC(C)C
- Molecular Weight1
- 191.36
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 275.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.755 | Crippen Calculated Property | |
| McVol | 161.960 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Inp | 1461.00 | NIST | |
| Tboil | 533.26 | K | Joback Calculated Property |
| Tc | 746.10 | K | Joback Calculated Property |
| Tfus | 266.06 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.79; 432.17] | J/mol×K | [533.26; 746.10] | 
|
| Cp,gas | 357.79 | J/mol×K | 533.26 | Joback Calculated Property |
| Cp,gas | 372.26 | J/mol×K | 568.73 | Joback Calculated Property |
| Cp,gas | 385.83 | J/mol×K | 604.21 | Joback Calculated Property |
| Cp,gas | 398.55 | J/mol×K | 639.68 | Joback Calculated Property |
| Cp,gas | 410.48 | J/mol×K | 675.16 | Joback Calculated Property |
| Cp,gas | 421.67 | J/mol×K | 710.63 | Joback Calculated Property |
| Cp,gas | 432.17 | J/mol×K | 746.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Isopropyl-N,N-diethyldithiocarbamate.
Sources
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