Chemical Properties of Carbamothioic acid, bis(1-methylethyl)-, S-(2,3-dichloro-2-propenyl) ester (CAS 2303-16-4)

InChI

InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-

InChI Key

SPANOECCGNXGNR-UITAMQMPSA-N

Formula

C10H17Cl2NOS

SMILES

CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C

Molecular Weight¹

270.22

CAS

2303-16-4

Other Names

• 2,3-DCDT
• 2,3-Dichlorallyl-N,N-(diisopropyl)-thiocarbamate
• 2,3-Dichloro-2-propene-1-thiol, diisopropylcarbamate
• 2,3-Dichloroallyl N,N-diisopropylthiolcarbamate
• 2-Propene-1-thiol, 2,3-dichloro-, diisopropylcarbamate
• Avadex
• Avadex I
• Avadex II
• Bis(1-methylethyl) carbamothioic acid, S-(2,3-dichloro-2-propenyl)ester
• CP 15,336
• CP 15336
• Carbamic acid, diisopropylthio-, S-(2,3-dichloroallyl) ester
• DATC
• Di-isopropylthiolocarbamate de S-(2,3-dichloro allyle)
• Diallaat
• Diallat
• Diallate
• Dichloroallyl diisopropylthiocarbamate
• Diisopropylthiocarbamic acid, S-(2,3-dichloroallyl) ester
• Pyradex
• Rcra waste number U062
• S-(2,3-Dichlor-allyl)-N,N-diisopropyl-monothiocarbamaat
• S-(2,3-Dichloro-allil)-N,N-diisopropil-monotiocarbammato
• S-(2,3-Dichloroallyl) Diisopropylthiocarbamate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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°	30.65	kJ/mol	Joback Calculated Property
log10WS	-4.29		Estimated Solubility
logPoct/wat	4.277		Crippen Calculated Property
McVol	199.840	ml/mol	McGowan Calculated Property
Inp	[285.04; 1720.00]
Inp	1702.00		NIST
Inp	1713.00		NIST
Inp	1704.00		NIST
Inp	1720.00		NIST
Inp	285.04		NIST
Inp	287.02		NIST
Inp	285.04		NIST
Inp	1702.00		NIST
Tfus	306.04	K	Relay (1.0) Calculated Property

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	[472.62; 543.00]	J/mol×K	[641.51; 857.45]
Cp,gas	472.62	J/mol×K	641.51	Joback Calculated Property
Cp,gas	486.46	J/mol×K	677.50	Joback Calculated Property
Cp,gas	499.40	J/mol×K	713.49	Joback Calculated Property
Cp,gas	511.47	J/mol×K	749.48	Joback Calculated Property
Cp,gas	522.73	J/mol×K	785.47	Joback Calculated Property
Cp,gas	533.22	J/mol×K	821.46	Joback Calculated Property
Cp,gas	543.00	J/mol×K	857.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbamothioic acid, bis(1-methylethyl)-, S-(2,3-dichloro-2-propenyl) ester.

Sources

• Cheméo Relay (1.0)
• 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
• 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.
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