Chemical Properties of Perfluoro-pentan ethioic acid S-butyl ester

Perfluoro-pentan ethioic acid S-butyl ester

InChI
InChI=1S/C9H9F9OS/c1-2-3-4-20-5(19)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3
InChI Key
ZYEPLCLZSHCXDZ-UHFFFAOYSA-N
Formula
C9H9F9OS
SMILES
CCCCSC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
336.22
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Physical Properties

Property Value Unit Source
ΔfusH° 22.86 kJ/mol Joback Calculated Property
ΔvapH° 54.08 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.514 Crippen Calculated Property
McVol 171.520 ml/mol McGowan Calculated Property
Inp [931.00; 953.00]   Show Hide
Inp 946.00 NIST
Inp 941.00 NIST
Inp 931.00 NIST
Inp 953.00 NIST
Inp 946.00 NIST
Ip [945.00; 1008.00]   Show Hide
Ip 1008.00 NIST
Ip 983.00 NIST
Ip 957.00 NIST
Ip 945.00 NIST
Ip 1008.00 NIST
Tboil 428.30 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [285.78; 568.76] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.14070e+01
Coefficient B1.43461e+00
Coefficient C-1.24170e-03
Coefficient D3.97260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 285.78 J/mol×K 273.00 Calculated Property
Cp,gas 348.31 J/mol×K 353.78 Calculated Property
Cp,gas 400.13 J/mol×K 434.56 Calculated Property
Cp,gas 442.51 J/mol×K 515.33 Calculated Property
Cp,gas 476.69 J/mol×K 596.11 Calculated Property
Cp,gas 503.95 J/mol×K 676.89 Calculated Property
Cp,gas 525.53 J/mol×K 757.67 Calculated Property
Cp,gas 542.68 J/mol×K 838.44 Calculated Property
Cp,gas 556.68 J/mol×K 919.22 Calculated Property
Cp,gas 568.76 J/mol×K 1000.00 Calculated Property

Similar Compounds

Perfluoro-pentan ethioic acid S-pentyl ester. Perfluoro-pentan ethioic acid S-hexyl ester. Perfluoro-pentan ethioic acid S-propyl ester. Perfluoro-pentan ethioic acid S-ethyl ester. perfluoro-pentan ethioic acid S-methyl ester. Warfarin, heptafluorobutyrate. 3-(butanoylthio)hexyl butanoate. Methionine-asparagine-threonine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Mebhydroline M (nor), acetylated. Silane, [(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1,7-diyl)bis(oxy)]bis[trimethyl-, [6aR-(6a«alpha»,7«alpha»,10a«beta»)]-. Testosterone, 3-HFB, 17«beta»-PFB. 3'-acetylindicine. 3'-acetylsupinine. 2,2'-Dithio bis 4-(n-heptylsulfonylmethyl) thiazole. Dimetindene.

Find more compounds similar to Perfluoro-pentan ethioic acid S-butyl ester.

Sources

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