Chemical Properties of Buturon, HFBA

Buturon, HFBA

InChI
InChI=1S/C16H12ClF7N2O2/c1-4-9(2)25(3)13(28)26(11-7-5-10(17)6-8-11)12(27)14(18,19)15(20,21)16(22,23)24/h1,5-9H,2-3H3
InChI Key
FNMKVFLBRBGPFD-UHFFFAOYSA-N
Formula
C16H12ClF7N2O2
SMILES
C#CC(C)N(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1
Molecular Weight1
432.72
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Physical Properties

Property Value Unit Source
ΔfusH° 43.05 kJ/mol Joback Calculated Property
log10WS -6.02 Relay (1.0) Calculated Property
logPoct/wat 4.579 Crippen Calculated Property
McVol 251.670 ml/mol McGowan Calculated Property
Inp [1653.00; 1653.00]   Show Hide
Inp 1653.00 NIST
Inp 1653.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [377.98; 782.34] 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-4.37200e+01
Coefficient B1.95604e+00
Coefficient C-1.64829e-03
Coefficient D5.18310e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 377.98 J/mol×K 273.00 Calculated Property
Cp,gas 464.94 J/mol×K 353.78 Calculated Property
Cp,gas 537.56 J/mol×K 434.56 Calculated Property
Cp,gas 597.49 J/mol×K 515.33 Calculated Property
Cp,gas 646.37 J/mol×K 596.11 Calculated Property
Cp,gas 685.84 J/mol×K 676.89 Calculated Property
Cp,gas 717.53 J/mol×K 757.67 Calculated Property
Cp,gas 743.08 J/mol×K 838.44 Calculated Property
Cp,gas 764.14 J/mol×K 919.22 Calculated Property
Cp,gas 782.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

Neburon, HFBA. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. norbormide. [6-[6-[[4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate. Neopine. Normorphine TMS. Nicocodine. 6-O,N-Diacetylnorcodeine. 3-O,6-O,N-Triacetylnormorphine. DIHYDROERGOKRYPTINE. BUPRENORPHINE. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-isopropylsilyl. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ethylmorphine, trimethylsilyl ether.

Find more compounds similar to Buturon, HFBA.

Sources

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