- InChI
- InChI=1S/C6H11NS2/c1-4-5-9-6(8)7(2)3/h4H,1,5H2,2-3H3
- InChI Key
- ZFMLVJCASVPGIT-UHFFFAOYSA-N
- Formula
- C6H11NS2
- SMILES
- C=CCSC(=S)N(C)C
- Molecular Weight1
- 161.29
- CAS
- 20821-66-3
- Other Names
-
- S-Allyl-N,N-dimethyldithiocarbamate
- Carbamic acid, dimethyldithio-, allyl ester
- Allyl N,N-dimethyldithiocarbamate
- 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° | 348.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 214.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.87 | kJ/mol | Joback Calculated Property |
| log10WS | -1.99 | Crippen Calculated Property | |
| logPoct/wat | 1.752 | Crippen Calculated Property | |
| McVol | 129.480 | ml/mol | McGowan Calculated Property |
| Pc | 3695.46 | kPa | Joback Calculated Property |
| Inp | 1417.00 | NIST | |
| Tboil | 484.62 | K | Joback Calculated Property |
| Tc | 704.32 | K | Joback Calculated Property |
| Tfus | 256.76 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.50; 310.29] | J/mol×K | [484.62; 704.32] | 
|
| Cp,gas | 252.50 | J/mol×K | 484.62 | Joback Calculated Property |
| Cp,gas | 263.99 | J/mol×K | 521.24 | Joback Calculated Property |
| Cp,gas | 274.67 | J/mol×K | 557.85 | Joback Calculated Property |
| Cp,gas | 284.57 | J/mol×K | 594.47 | Joback Calculated Property |
| Cp,gas | 293.77 | J/mol×K | 631.09 | Joback Calculated Property |
| Cp,gas | 302.33 | J/mol×K | 667.70 | Joback Calculated Property |
| Cp,gas | 310.29 | J/mol×K | 704.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl dimethyldithiocarbamate.
Sources
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