Chemical Properties of 3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C15H10F4O2S/c1-22-10-4-2-3-8(5-10)15(20)21-7-9-6-11(16)13(18)14(19)12(9)17/h2-6H,7H2,1H3

InChI Key

DPHMTXCFSOKVEP-UHFFFAOYSA-N

Formula

C15H10F4O2S

SMILES

CSc1cccc(C(=O)OCc2cc(F)c(F)c(F)c2F)c1

Molecular Weight¹

330.30

• 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_vapH° : Enthalpy of vaporization at standard conditions (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.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-727.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-924.59	kJ/mol	Joback Calculated Property
ΔfusH°	39.98	kJ/mol	Joback Calculated Property
ΔvapH°	69.55	kJ/mol	Joback Calculated Property
log10WS	-5.89		Crippen Calculated Property
logPoct/wat	4.322		Crippen Calculated Property
McVol	205.560	ml/mol	McGowan Calculated Property
Pc	2088.84	kPa	Joback Calculated Property
Inp	[2124.00; 2124.00]
Inp	2124.00		NIST
Inp	2124.00		NIST
Tboil	763.01	K	Joback Calculated Property
Tc	980.89	K	Joback Calculated Property
Tfus	483.17	K	Joback Calculated Property
Vc	0.809	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.05; 600.00]	J/mol×K	[763.01; 980.89]
Cp,gas	544.05	J/mol×K	763.01	Joback Calculated Property
Cp,gas	555.69	J/mol×K	799.32	Joback Calculated Property
Cp,gas	566.40	J/mol×K	835.64	Joback Calculated Property
Cp,gas	576.18	J/mol×K	871.95	Joback Calculated Property
Cp,gas	585.03	J/mol×K	908.26	Joback Calculated Property
Cp,gas	592.97	J/mol×K	944.57	Joback Calculated Property
Cp,gas	600.00	J/mol×K	980.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester.

Sources

• 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.