Chemical Properties of 4-(Methylthio)benzoic pentafluoropropionic anhydride

InChI

InChI=1S/C11H7F5O3S/c1-20-7-4-2-6(3-5-7)8(17)19-9(18)10(12,13)11(14,15)16/h2-5H,1H3

InChI Key

WPPUTRGFQKEJQQ-UHFFFAOYSA-N

Formula

C11H7F5O3S

SMILES

CSc1ccc(C(=O)OC(=O)C(F)(F)C(F)(F)F)cc1

Molecular Weight¹

314.23

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.99	kJ/mol	Joback Calculated Property
logPoct/wat	3.290		Crippen Calculated Property
McVol	176.300	ml/mol	McGowan Calculated Property
Inp	[1517.00; 1517.00]
Inp	1517.00		NIST
Inp	1517.00		NIST
Tboil	535.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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,gas	[458.96; 509.28]	J/mol×K	[671.57; 880.94]
Cp,gas	458.96	J/mol×K	671.57	Joback Calculated Property
Cp,gas	469.43	J/mol×K	706.47	Joback Calculated Property
Cp,gas	479.01	J/mol×K	741.36	Joback Calculated Property
Cp,gas	487.73	J/mol×K	776.26	Joback Calculated Property
Cp,gas	495.65	J/mol×K	811.15	Joback Calculated Property
Cp,gas	502.81	J/mol×K	846.05	Joback Calculated Property
Cp,gas	509.28	J/mol×K	880.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(Methylthio)benzoic pentafluoropropionic anhydride.

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.