- InChI
- InChI=1S/C8H15NS2/c1-4-7-11-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3
- InChI Key
- NLZGRCKPBHBOGE-UHFFFAOYSA-N
- Formula
- C8H15NS2
- SMILES
- C=CCSC(=S)N(CC)CC
- Molecular Weight1
- 189.34
- 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 | 0.3343 | Relay (1.0) Calculated Property | |
| ΔfG° | 365.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 33.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.532 | Crippen Calculated Property | |
| McVol | 157.660 | ml/mol | McGowan Calculated Property |
| Pc | 2963.34 | kPa | Joback Calculated Property |
| Inp | 1516.00 | NIST | |
| Tboil | 512.59 | K | Relay (1.0) Calculated Property |
| Tc | 713.11 | K | Relay (1.0) Calculated Property |
| Tfus | 241.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.63; 407.18] | J/mol×K | [530.38; 743.07] | 
|
| Cp,gas | 338.63 | J/mol×K | 530.38 | Joback Calculated Property |
| Cp,gas | 352.05 | J/mol×K | 565.83 | Joback Calculated Property |
| Cp,gas | 364.60 | J/mol×K | 601.28 | Joback Calculated Property |
| Cp,gas | 376.33 | J/mol×K | 636.73 | Joback Calculated Property |
| Cp,gas | 387.29 | J/mol×K | 672.18 | Joback Calculated Property |
| Cp,gas | 397.56 | J/mol×K | 707.62 | Joback Calculated Property |
| Cp,gas | 407.18 | J/mol×K | 743.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Allyl-N,N-diethyldithiocarbamate.
Sources
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