Chemical Properties of Ethanone, 1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)- (CAS 484-18-4)

Ethanone, 1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-

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InChI
InChI=1S/C14H16O4/c1-8(15)12-10(16)7-11(17-4)9-5-6-14(2,3)18-13(9)12/h5-7,16H,1-4H3
InChI Key
LTDSNAYFLFUPPT-UHFFFAOYSA-N
Formula
C14H16O4
SMILES
COc1cc(O)c(C(C)=O)c2c1C=CC(C)(C)O2
Molecular Weight1
248.27
CAS
484-18-4
Other Names
  • Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl methyl
  • Alloevodionol
  • 1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-8-yl)ethanone
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Physical Properties

Property Value Unit Source
Δf -251.02 kJ/mol Joback Calculated Property
Δfgas -544.62 kJ/mol Joback Calculated Property
Δfus 32.40 kJ/mol Joback Calculated Property
Δvap 76.93 kJ/mol Joback Calculated Property
log10WS -3.59 Crippen Calculated Property
logPoct/wat 2.788 Crippen Calculated Property
McVol 188.380 ml/mol McGowan Calculated Property
Pc 2909.25 kPa Joback Calculated Property
Inp [1899.00; 1899.00]   Show Hide
Inp 1899.00 NIST
Inp 1899.00 NIST
I [2786.00; 2786.00]   Show Hide
I 2786.00 NIST
I 2786.00 NIST
Tboil 755.61 K Joback Calculated Property
Tc 993.51 K Joback Calculated Property
Tfus 561.05 K Joback Calculated Property
Vc 0.655 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [534.49; 618.50] J/mol×K [755.61; 993.51] Show Hide
Cp,gas 534.49 J/mol×K 755.61 Joback Calculated Property
Cp,gas 548.52 J/mol×K 795.26 Joback Calculated Property
Cp,gas 562.28 J/mol×K 834.91 Joback Calculated Property
Cp,gas 575.95 J/mol×K 874.56 Joback Calculated Property
Cp,gas 589.75 J/mol×K 914.21 Joback Calculated Property
Cp,gas 603.86 J/mol×K 953.86 Joback Calculated Property
Cp,gas 618.50 J/mol×K 993.51 Joback Calculated Property

Similar Compounds

eupatoriochromene. Encecalin. 4'-O-Methylglabridin. 3'-Hydroxy-4'-O-methylglabridin. Hispaglabridin A. 1,3-Benzenediol, 4-[(3R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Hispaglabridin B. Nomifemsine M(HO), diacetylated, isomer # 2. Nadolol, acetylated. Oxycodone TMS derivative. Naloxone, bis(trimethylsilyl) ether. xanthosine-5'-monophosphate, TMS. Oxycodone. Oxymorphone, bis(trimethylsilyl) ether.

Find more compounds similar to Ethanone, 1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-.

Sources

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