Chemical Properties of 4-(Methylthio)benzoic acid, 2-(pentafluorophenoxy)ethyl ester

4-(Methylthio)benzoic acid, 2-(pentafluorophenoxy)ethyl ester

InChI
InChI=1S/C16H11F5O3S/c1-25-9-4-2-8(3-5-9)16(22)24-7-6-23-15-13(20)11(18)10(17)12(19)14(15)21/h2-5H,6-7H2,1H3
InChI Key
ACCQMIFGTFGNNP-UHFFFAOYSA-N
Formula
C16H11F5O3S
SMILES
CSc1ccc(C(=O)OCCOc2c(F)c(F)c(F)c(F)c2F)cc1
Molecular Weight1
378.32
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Physical Properties

Property Value Unit Source
ΔfusH° 48.03 kJ/mol Joback Calculated Property
logPoct/wat 4.340 Crippen Calculated Property
McVol 227.290 ml/mol McGowan Calculated Property
Inp [2290.00; 2290.00]   Show Hide
Inp 2290.00 NIST
Inp 2290.00 NIST
Tboil 630.13 K Relay (1.0) Calculated Property
Tfus 352.09 K Relay (1.0) Calculated Property

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, 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 [625.81; 678.19] J/mol×K [794.69; 1000.90] Show Hide
Cp,gas 625.81 J/mol×K 794.69 Joback Calculated Property
Cp,gas 637.04 J/mol×K 829.06 Joback Calculated Property
Cp,gas 647.28 J/mol×K 863.43 Joback Calculated Property
Cp,gas 656.52 J/mol×K 897.80 Joback Calculated Property
Cp,gas 664.76 J/mol×K 932.16 Joback Calculated Property
Cp,gas 671.99 J/mol×K 966.53 Joback Calculated Property
Cp,gas 678.19 J/mol×K 1000.90 Joback Calculated Property

Similar Compounds

3-(Methylthio)benzoic acid, 2-(pentafluorophenoxy)ethyl ester. 2-(Methylthio)benzoic acid, 2-(pentafluorophenoxy)ethyl ester. 3-Methoxybenzoic acid, 2-(pentafluorophenoxy)ethyl ester. 4-(Methylthio)benzoic acid, 2-(2-chlorophenoxy)ethyl ester. 2-(Methylthio)benzoic acid, 2-(2-chlorophenoxy)ethyl ester. Benzofuran-5-propanol, 2,3-dihydro-7-hydroxy-3-hydroxymethyl-2-(4-hydroxy-3-methoxyphenyl), tetrakis-TMS. Benzofuran-5-propanol, 2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(4-hydroxy-3-methoxyphenyl), tris-TMS. 3,4-(2'-METHYL-2'METHOXY-4'-PHENYL)-DIHYDROPYRANCUMARINE. Benz[a]acridine, 5,7-dimethyl. Indomethacin, pentyl ester. Phthalic acid, butyl 2-(4-nitrophenoxy)ethyl ester. 1-(5',6'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Vanillyl epoxijaeschkeanadiol. 7-(2-Methylbutyryl)-9-echimidinylretronecine.

Find more compounds similar to 4-(Methylthio)benzoic acid, 2-(pentafluorophenoxy)ethyl ester.

Sources

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