Chemical Properties of Triallate (CAS 2303-17-5)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.53	kJ/mol	Joback Calculated Property
log10WS	[-4.88; -4.88]
log10WS	-4.88		Aq. Solubility Prediction
log10WS	-4.88		Estimated Solubility
logPoct/wat	4.844		Crippen Calculated Property
McVol	212.080	ml/mol	McGowan Calculated Property
Inp	[1809.00; 1827.00]
Inp	1809.00		NIST
Inp	1823.00		NIST
Inp	1827.00		NIST
Inp	1827.00		NIST
Tfus	307.19 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.62; 562.78]	J/mol×K	[678.82; 901.55]
Cp,gas	497.62	J/mol×K	678.82	Joback Calculated Property
Cp,gas	510.57	J/mol×K	715.94	Joback Calculated Property
Cp,gas	522.61	J/mol×K	753.06	Joback Calculated Property
Cp,gas	533.80	J/mol×K	790.18	Joback Calculated Property
Cp,gas	544.18	J/mol×K	827.31	Joback Calculated Property
Cp,gas	553.82	J/mol×K	864.43	Joback Calculated Property
Cp,gas	562.78	J/mol×K	901.55	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

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.