Chemical Properties of 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl), PFBO # 1

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl), PFBO # 1

PDF Excel Molecule Calculator
InChI
InChI=1S/C20H22F5NO/c1-11-6-5-9-20(3,4)14(11)8-7-12(2)26-27-10-13-15(21)17(23)19(25)18(24)16(13)22/h7-8H,5-6,9-10H2,1-4H3/b8-7+,26-12?
InChI Key
AHAXBXYOISZKFM-SRGMPAQCSA-N
Formula
C20H22F5NO
SMILES
CC(C=CC1=C(C)CCCC1(C)C)=NOCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
387.39
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Physical Properties

Property Value Unit Source
Δfgas -1095.67 kJ/mol Joback Calculated Property
Δvap 68.27 kJ/mol Joback Calculated Property
log10WS -8.05 Crippen Calculated Property
logPoct/wat 6.357 Crippen Calculated Property
McVol 269.840 ml/mol McGowan Calculated Property
Pc 1176.05 kPa Joback Calculated Property
Inp [2045.00; 2045.00]   Show Hide
Inp 2045.00 NIST
Inp 2045.00 NIST
I [2415.00; 2415.00]   Show Hide
I 2415.00 NIST
I 2415.00 NIST
Tboil 836.98 K Joback Calculated Property
Tc 1044.13 K Joback Calculated Property

Similar Compounds

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl), PFBO # 2. 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 2. 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 1. cannabidiolic acid, n-butyl-boronate. 24R,25-Dihydroxycholecalciferol, butylboronate, 3-TBDMS, # 1. 24R,25-Dihydroxycholecalciferol, butylboronate, 3-TBDMS, # 2. Physostigmine. Spartioidine, 12-acetyl. Seneciphylline, 12-acetyl. Acetylseneciphylline. cannabidiolic acid, methyl-boronate. N-Desmethylmirtazapine. Hydrocodone. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Dihydromorphine.

Find more compounds similar to 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl), PFBO # 1.

Sources

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