Chemical Properties of Methyl trichlorothioacrylate

InChI

InChI=1S/C4H3Cl3OS/c1-8-4(9)2(5)3(6)7/h1H3

InChI Key

WUEKZQWKWJIUPB-UHFFFAOYSA-N

Formula

C4H3Cl3OS

SMILES

COC(=S)C(Cl)=C(Cl)Cl

Molecular Weight¹

205.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.08	kJ/mol	Joback Calculated Property
logPoct/wat	2.846		Crippen Calculated Property
McVol	117.560	ml/mol	McGowan Calculated Property
S°liquid	324.30	J/mol×K	NIST
Ttriple	[286.25; 286.25]	K
Ttriple	286.25 ± 0.02	K	NIST
Ttriple	286.25 ± 0.02	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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,liquid	244.90	J/mol×K	298.15	NIST
ΔfusH	[20.37; 20.37]	kJ/mol	[286.25; 286.25]
ΔfusH	20.37	kJ/mol	286.25	NIST
ΔfusH	20.37	kJ/mol	286.25	NIST
ΔvapH	64.80	kJ/mol	403.00	NIST
ΔfusS	[71.20; 71.20]	J/mol×K	[286.25; 286.25]
ΔfusS	71.20	J/mol×K	286.25	NIST
ΔfusS	71.20	J/mol×K	286.25	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.39; 232.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.22700e+01
Coefficient B			4.68210e-01
Coefficient C			-4.43800e-04
Coefficient D			1.66100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.39	J/mol×K	273.00	Calculated Property
Cp,gas	159.72	J/mol×K	353.78	Calculated Property
Cp,gas	175.56	J/mol×K	434.56	Calculated Property
Cp,gas	188.43	J/mol×K	515.33	Calculated Property
Cp,gas	198.86	J/mol×K	596.11	Calculated Property
Cp,gas	207.37	J/mol×K	676.89	Calculated Property
Cp,gas	214.49	J/mol×K	757.67	Calculated Property
Cp,gas	220.75	J/mol×K	838.44	Calculated Property
Cp,gas	226.67	J/mol×K	919.22	Calculated Property
Cp,gas	232.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methyl trichlorothioacrylate.

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
• Crippen Method
• Joback 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.