Chemical Properties of 3-Penten-2-one, 1,1,1-trifluoro-4-mercapto (CAS 7141-17-5)

InChI

InChI=1S/C5H5F3OS/c1-3(10)2-4(9)5(6,7)8/h2,10H,1H3/b3-2-

InChI Key

RCKPNIPOQOBBDS-IHWYPQMZSA-N

Formula

C5H5F3OS

SMILES

CC(S)=CC(=O)C(F)(F)F

Molecular Weight¹

170.15

CAS

7141-17-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.54; 283.50]	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			5.20000e-01
Coefficient B			6.59220e-01
Coefficient C			-5.59000e-04
Coefficient D			1.82760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.54	J/mol×K	273.00	Calculated Property
Cp,gas	171.87	J/mol×K	353.78	Calculated Property
Cp,gas	196.42	J/mol×K	434.56	Calculated Property
Cp,gas	216.80	J/mol×K	515.33	Calculated Property
Cp,gas	233.56	J/mol×K	596.11	Calculated Property
Cp,gas	247.30	J/mol×K	676.89	Calculated Property
Cp,gas	258.58	J/mol×K	757.67	Calculated Property
Cp,gas	267.99	J/mol×K	838.44	Calculated Property
Cp,gas	276.10	J/mol×K	919.22	Calculated Property
Cp,gas	283.50	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Penten-2-one, 1,1,1-trifluoro-4-mercapto.

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

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