- InChI
- InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3
- InChI Key
- XJCLWVXTCRQIDI-UHFFFAOYSA-N
- Formula
- C8H14ClNS2
- SMILES
- C=C(Cl)CSC(=S)N(CC)CC
- Molecular Weight1
- 223.79
- CAS
- 95-06-7
- Other Names
-
- 2-Chlorallyl diethyldithiocarbamate
- 2-Chloro-2-propene-1-thiol diethyldithiocarbamate
- 2-Chloro-2-propenyl diethylcarbamodithioate
- 2-Chloroallyl N,N-diethyldithiocarbamate
- 2-Chloroallyl diethyldithiocarbamate
- 2-Propene-1-thiol, 2-chloro-, diethyldithiocarbamate
- 2-chloroprop-2-enyl diethylaminomethanedithioate
- CDEC
- CP 4,742
- CP 4572
- Carbamic acid, diethyldithio-, 2-chloroallyl ester
- Carbamodithioic acid, diethyl-, 2-chloro-2-propenyl ester
- Chlorallyl diethyldithiocarbamate
- Diethylcarbamodithioic acid 2-chloro-2-propenyl ester
- Diethyldithiocarbamic acid 2-chloroallyl ester
- NCI-C00453
- NSC 16085
- Thioallate
- Vegadex
- Vegadex super
- Vegedex
- 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 | 0.3635 | Relay (1.0) Calculated Property | |
| ΔfG° | 344.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.39; -3.39] |
|
|
| log10WS | -3.39 | Aq. Solubility Prediction | |
| log10WS | -3.39 | Estimated Solubility | |
| logPoct/wat | 3.099 | Crippen Calculated Property | |
| McVol | 169.900 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | [1635.00; 1708.00] |
|
|
| Inp | 1704.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1704.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1635.00 | NIST | |
| I | 2390.00 | NIST | |
| Tboil | 533.39 | K | Relay (1.0) Calculated Property |
| Tc | 735.84 | K | Relay (1.0) Calculated Property |
| Tfus | 283.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.40; 428.41] | J/mol×K | [567.69; 788.84] |
|
| Cp,gas | 364.40 | J/mol×K | 567.69 | Joback Calculated Property |
| Cp,gas | 377.06 | J/mol×K | 604.55 | Joback Calculated Property |
| Cp,gas | 388.83 | J/mol×K | 641.41 | Joback Calculated Property |
| Cp,gas | 399.78 | J/mol×K | 678.27 | Joback Calculated Property |
| Cp,gas | 409.98 | J/mol×K | 715.12 | Joback Calculated Property |
| Cp,gas | 419.50 | J/mol×K | 751.98 | Joback Calculated Property |
| Cp,gas | 428.41 | J/mol×K | 788.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfallate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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