Chemical Properties of Ethanethioic acid, trifluoro-, S-ethyl ester (CAS 383-64-2)

InChI

InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChI Key

VGGUKFAVHPGNBF-UHFFFAOYSA-N

Formula

C4H5F3OS

SMILES

CCSC(=O)C(F)(F)F

Molecular Weight¹

158.14

CAS

383-64-2

Other Names

• Acetic acid, trifluorothio-, S-ethyl ester
• Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester
• Ethyl trifluorothioacetate
• Ethyl trifluorothiolacetate
• NSC 88936
• S-Ethyl trifluoroethanethioate
• S-Ethyl trifluorothioacetate
• S-Ethylthioltrifluoroacetate
• S-Ethylthiotrifluoroacetate
• Trifluoroethanethioic acid S-ethyl ester
• Trifluorothioacetic acid S-ethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.90; 263.98]	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			2.00110e+01
Coefficient B			5.11410e-01
Coefficient C			-3.55900e-04
Coefficient D			8.84600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.90	J/mol×K	273.00	Calculated Property
Cp,gas	160.31	J/mol×K	353.78	Calculated Property
Cp,gas	182.30	J/mol×K	434.56	Calculated Property
Cp,gas	201.15	J/mol×K	515.33	Calculated Property
Cp,gas	217.14	J/mol×K	596.11	Calculated Property
Cp,gas	230.55	J/mol×K	676.89	Calculated Property
Cp,gas	241.66	J/mol×K	757.67	Calculated Property
Cp,gas	250.75	J/mol×K	838.44	Calculated Property
Cp,gas	258.09	J/mol×K	919.22	Calculated Property
Cp,gas	263.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[261.77; 403.29]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			8.84322e+00
Coefficient B			-8.51201e+02
Coefficient C			-1.62277e+02
Temperature range, min.			261.77
Temperature range, max.			403.29
Pvap	1.33	kPa	261.77	Calculated Property
Pvap	4.29	kPa	277.49	Calculated Property
Pvap	10.41	kPa	293.22	Calculated Property
Pvap	20.90	kPa	308.94	Calculated Property
Pvap	36.65	kPa	324.67	Calculated Property
Pvap	58.22	kPa	340.39	Calculated Property
Pvap	85.79	kPa	356.12	Calculated Property
Pvap	119.28	kPa	371.84	Calculated Property
Pvap	158.37	kPa	387.57	Calculated Property
Pvap	202.65	kPa	403.29	Calculated Property

Similar Compounds

Find more compounds similar to Ethanethioic acid, trifluoro-, S-ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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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