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

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
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 standard conditions (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).
P_c : Critical Pressure (kPa).
I_np : Non-polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	70.75	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-213.05	kJ/mol	Joback Calculated Property
Δ_fusH°	33.53	kJ/mol	Joback Calculated Property
Δ_vapH°	65.96	kJ/mol	Joback Calculated Property
log₁₀WS	[-4.88; -4.88]
log₁₀WS	-4.88		Aq. Sol...
log₁₀WS	-4.88		Estimat...
logP_oct/wat	4.844		Crippen Calculated Property
McVol	212.080	ml/mol	McGowan Calculated Property
P_c	2197.95	kPa	Joback Calculated Property
I_np	[1809.00; 1827.00]
I_np	1809.00		NIST
I_np	1823.00		NIST
I_np	1827.00		NIST
I_np	1827.00		NIST
T_boil	678.62	K	Joback Calculated Property
T_c	901.28	K	Joback Calculated Property
T_fus	307.19 ± 0.20	K	NIST
V_c	0.790	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[497.55; 562.72]	J/mol×K	[678.62; 901.28]

C_p,gas	497.55	J/mol×K	678.62	Joback Calculated Property
C_p,gas	510.50	J/mol×K	715.73	Joback Calculated Property
C_p,gas	522.54	J/mol×K	752.84	Joback Calculated Property
C_p,gas	533.73	J/mol×K	789.95	Joback Calculated Property
C_p,gas	544.11	J/mol×K	827.06	Joback Calculated Property
C_p,gas	553.76	J/mol×K	864.17	Joback Calculated Property
C_p,gas	562.72	J/mol×K	901.28	Joback Calculated Property
Δ_fusH	27.11	kJ/mol	306.40	NIST
Δ_subH	84.00	kJ/mol	305.50	NIST
Δ_vapH	84.30	kJ/mol	305.50	NIST

Similar Compounds

Find more compounds similar to Triallate.

Sources

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