Chemical Properties of 10,12-Octadecadienoic acid, 9-oxo, PFBO, methyl ester, # 1

10,12-Octadecadienoic acid, 9-oxo, PFBO, methyl ester, # 1

InChI
InChI=1S/C26H34F5NO3/c1-3-4-5-6-7-9-12-15-19(16-13-10-8-11-14-17-21(33)34-2)32-35-18-20-22(27)24(29)26(31)25(30)23(20)28/h7,9,12,15H,3-6,8,10-11,13-14,16-18H2,1-2H3/b9-7+,15-12+,32-19?
InChI Key
JKBVZIAOZGHJMV-STKYPROPSA-N
Formula
C26H34F5NO3
SMILES
CCCCCC=CC=CC(CCCCCCCC(=O)OC)=NOCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
503.55
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Physical Properties

Property Value Unit Source
Δfgas -1247.25 kJ/mol Relay (1.0) Calculated Property
Δvap 118.30 kJ/mol Relay (1.0) Calculated Property
log10WS -8.54 Relay (1.0) Calculated Property
logPoct/wat 7.851 Crippen Calculated Property
McVol 372.680 ml/mol McGowan Calculated Property
Inp [2798.00; 2806.00]   Show Hide
Inp 2798.00 NIST
Inp 2806.00 NIST
Inp 2798.00 NIST
Tboil 666.94 K Relay (1.0) Calculated Property
Tc 845.14 K Relay (1.0) Calculated Property
Tfus 376.07 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Similar Compounds

9,11-Octadecadienoic acid, 13-oxo, PFBO, methyl ester, # 2. 9,11-Octadecadienoic acid, 13-oxo, PFBO, methyl ester, # 1. (E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 2. (Z)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 1. (E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 1. (Z)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 2. 9-Oxo-11-octadecenoic acid, 13-hydroxy, PFBO, TMS, methyl ester, # 1. 9-Oxo-11-octadecenoic acid, 13-hydroxy, PFBO, TMS, methyl ester, # 2. pimaricin. (Z)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, «omega»-PFB-oxime, TMS-enol, # 2. (Z)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, «omega»-PFB-oxime, TMS-enol, # 1. (E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, «omega»-PFB-oxime, TMS-enol, # 1. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. Ni-TETMP complex. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-.

Find more compounds similar to 10,12-Octadecadienoic acid, 9-oxo, PFBO, methyl ester, # 1.

Sources

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