- InChI
- InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
- InChI Key
- MWBPRDONLNQCFV-UHFFFAOYSA-N
- Formula
- C10H16Cl3NOS
- SMILES
-
CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(
C)C - Molecular Weight1
- 304.66
- CAS
- 2303-17-5
- Other Names
-
- 2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat
- 2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
- 2,3,3-Trichloroallyl diisopropylthiocarbamate
- 2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate
- Avadex BE
- Avadex BW
- CP 23426
- Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester
- Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester
- Carbamothioic acid, bis(isopropyl), S-(2,3,3-trichloroallyl) ester
- Diisopropyltrichloroallylthiocarbamate
- Dipthal
- Far-Go
- Far-Go/Avadex BW
- N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamate
- N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester
- NSC 379698
- S-(2,3,3-Trichloro-2-propenyl) bis(1-methylethyl)carbamothioate
- S-(2,3,3-trichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate
- S-2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
- S-2,3,3-Trichloroallyl diisopropylthiocarbamate
- Showdown
- Thiocarbamic acid, N-diisopropyl-, S-2,3,3-trichloroallyl ester
- Triallat
- Triamyl
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 70.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.96 | kJ/mol | Joback Calculated Property |
| log10WS | [-4.88; -4.88] |
|
|
| log10WS | -4.88 | Aq. Sol... | |
| log10WS | -4.88 | Estimat... | |
| logPoct/wat | 4.844 | Crippen Calculated Property | |
| McVol | 212.080 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | [1809.00; 1827.00] |
|
|
| Inp | 1809.00 | NIST | |
| Inp | 1823.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Tboil | 678.62 | K | Joback Calculated Property |
| Tc | 901.28 | K | Joback Calculated Property |
| Tfus | 307.19 ± 0.20 | K | NIST |
| Vc | 0.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.55; 562.72] | J/mol×K | [678.62; 901.28] |
|
| Cp,gas | 497.55 | J/mol×K | 678.62 | Joback Calculated Property |
| Cp,gas | 510.50 | J/mol×K | 715.73 | Joback Calculated Property |
| Cp,gas | 522.54 | J/mol×K | 752.84 | Joback Calculated Property |
| Cp,gas | 533.73 | J/mol×K | 789.95 | Joback Calculated Property |
| Cp,gas | 544.11 | J/mol×K | 827.06 | Joback Calculated Property |
| Cp,gas | 553.76 | J/mol×K | 864.17 | Joback Calculated Property |
| Cp,gas | 562.72 | J/mol×K | 901.28 | Joback Calculated Property |
| ΔfusH | 27.11 | kJ/mol | 306.40 | NIST |
| ΔsubH | 84.00 | kJ/mol | 305.50 | NIST |
| ΔvapH | 84.30 | kJ/mol | 305.50 | NIST |
Similar Compounds
Find more compounds similar to Triallate.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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