Chemical Properties of 4-Oxo-«beta»-ionol, Gly, TFA

4-Oxo-«beta»-ionol, Gly, TFA

InChI
InChI=1S/C27H26F12O11/c1-10-7-12(40)8-23(3,4)13(10)6-5-11(2)46-18-17(50-22(44)27(37,38)39)16(49-21(43)26(34,35)36)15(48-20(42)25(31,32)33)14(47-18)9-45-19(41)24(28,29)30/h5-6,11,14-18H,7-9H2,1-4H3/b6-5+/t11?,14-,15-,16+,17-,18-/m1/s1
InChI Key
AMGTVCUHNCZYHT-KUPPMWNHSA-N
Formula
C27H26F12O11
SMILES
CC1=C(C=CC(C)OC2OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C2OC(=O)C(F)(F)F)C(C)(C)CC(=O)C1
Molecular Weight1
754.47
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Physical Properties

Property Value Unit Source
ω 0.9339 Relay (1.0) Calculated Property
ΔfG° -3298.24 kJ/mol Joback Calculated Property
ΔfH°gas -4291.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 71.59 kJ/mol Joback Calculated Property
ΔvapH° 129.15 kJ/mol Relay (1.0) Calculated Property
IE 9.53 eV Relay (1.0) Calculated Property
log10WS -6.74 Relay (1.0) Calculated Property
logPoct/wat 4.906 Crippen Calculated Property
McVol 425.280 ml/mol McGowan Calculated Property
Pc 733.63 kPa Joback Calculated Property
Inp 2220.00 NIST
Tboil 655.95 K Relay (1.0) Calculated Property
Tc 835.91 K Relay (1.0) Calculated Property
Tfus 408.05 K Relay (1.0) Calculated Property
Vc 1.549 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1606.20; 1708.64] J/mol×K [1251.33; 1597.48] Show Hide
Cp,gas 1606.20 J/mol×K 1251.33 Joback Calculated Property
Cp,gas 1623.78 J/mol×K 1309.02 Joback Calculated Property
Cp,gas 1640.48 J/mol×K 1366.71 Joback Calculated Property
Cp,gas 1656.81 J/mol×K 1424.40 Joback Calculated Property
Cp,gas 1673.28 J/mol×K 1482.09 Joback Calculated Property
Cp,gas 1690.38 J/mol×K 1539.78 Joback Calculated Property
Cp,gas 1708.64 J/mol×K 1597.48 Joback Calculated Property

Similar Compounds

3-Oxo-«alpha»-ionol, Gly, TFA. Vomifoliol 2A, Gly, TFA. Vomifoliol 1A, Gly, TFA. (6S,9R)-Vomifolyl 9-O-«beta»-D-glucopyranoside, TFA. Vomifolyl «beta»-D-glucopyranoside, TFA. 3,6-Epoxy-7-megastigmen-5,9-diol «beta»-D-glucopyranoside, TFA. azadirachtin. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. ethylmorphine, propionic ester. uridine-2'(3')-monophosphate, TMS. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

Find more compounds similar to 4-Oxo-«beta»-ionol, Gly, TFA.

Sources

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