Chemical Properties of Avenaciolide, 6-[2-(3-bromophenyl)ethyl]

Avenaciolide, 6-[2-(3-bromophenyl)ethyl]

InChI
InChI=1S/C15H13BrO4/c1-8-12-11(19-15(18)13(12)20-14(8)17)6-5-9-3-2-4-10(16)7-9/h2-4,7,11-13H,1,5-6H2/t11-,12-,13-/m1/s1
InChI Key
PQPPZWZZPBSQJW-JHJVBQTASA-N
Formula
C15H13BrO4
SMILES
C=C1C(=O)OC2C(=O)OC(CCc3cccc(Br)c3)C12
Molecular Weight1
337.17
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Physical Properties

Property Value Unit Source
ΔfusH° 42.66 kJ/mol Joback Calculated Property
logPoct/wat 2.405 Crippen Calculated Property
McVol 204.810 ml/mol McGowan Calculated Property
Inp [1824.00; 1824.00]   Show Hide
Inp 1824.00 NIST
Inp 1824.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [277.31; 627.58] 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-3.33580e+01
Coefficient B1.39600e+00
Coefficient C-1.02396e-03
Coefficient D2.88900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 277.31 J/mol×K 273.00 Calculated Property
Cp,gas 345.15 J/mol×K 353.78 Calculated Property
Cp,gas 403.63 J/mol×K 434.56 Calculated Property
Cp,gas 453.65 J/mol×K 515.33 Calculated Property
Cp,gas 496.15 J/mol×K 596.11 Calculated Property
Cp,gas 532.02 J/mol×K 676.89 Calculated Property
Cp,gas 562.19 J/mol×K 757.67 Calculated Property
Cp,gas 587.56 J/mol×K 838.44 Calculated Property
Cp,gas 609.05 J/mol×K 919.22 Calculated Property
Cp,gas 627.58 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0031321; 0.0018740] Pa×s [494.57; 685.91] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-7.60742e+00
Coefficient B9.10690e+02
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.494.57
Temperature range, max.685.91
η 0.0031321 Pa×s 494.57 Calculated Property
η 0.0029032 Pa×s 515.83 Calculated Property
η 0.0027073 Pa×s 537.09 Calculated Property
η 0.0025380 Pa×s 558.35 Calculated Property
η 0.0023906 Pa×s 579.61 Calculated Property
η 0.0022613 Pa×s 600.87 Calculated Property
η 0.0021472 Pa×s 622.13 Calculated Property
η 0.0020458 Pa×s 643.39 Calculated Property
η 0.0019553 Pa×s 664.65 Calculated Property
η 0.0018740 Pa×s 685.91 Calculated Property

Similar Compounds

Avenaciolide, 6-(2-phenylethyl). Avenaciolide, 6-[2-(4-fluorophenyl)ethyl]. Avenaciolide, 6-[2-(4-trifluoromethylphenyl)ethyl]. Avenaciolide, 6-[2-(4-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(2-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(4-methylphenyl)ethyl]. Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]. Methyldihydromorphine. azadirachtin. Hydrocodone. DIHYDROMORPHINE. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Hydromorphone. DIHYDROMORPHINONE ACETATE.

Find more compounds similar to Avenaciolide, 6-[2-(3-bromophenyl)ethyl].

Sources

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