Chemical Properties of 2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-

2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-

InChI
InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3
InChI Key
PTIDGSWTMLSGAH-UHFFFAOYSA-N
Formula
C13H16O3
SMILES
COc1cc2c(cc1OC)OC(C)(C)C=C2
Molecular Weight1
220.27
Other Names
  • Ageratochromene
  • Precocene 2
  • Precocene II
  • PRICOCENE II
  • 6,7-Dimethoxy-2,2-dimethyl-2H-benzo(b)pyran
  • 6,7-dimethoxy-2,2-dimethyl-(2H)-benzopyran (Precocene II )
  • 6,7-dimethoxy-2,2-dimethyl2H-1-benzopyran
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Physical Properties

Property Value Unit Source
ΔfusH° 23.61 kJ/mol Joback Calculated Property
IE 7.46 eV Relay (1.0) Calculated Property
logPoct/wat 2.888 Crippen Calculated Property
McVol 172.720 ml/mol McGowan Calculated Property
Inp [1634.00; 1683.00]   Show Hide
Inp 1683.00 NIST
Inp 1634.00 NIST
Inp 1656.00 NIST
Inp 1659.00 NIST
Inp 1659.00 NIST
Inp 1659.00 NIST
Inp 1634.00 NIST
I [2373.00; 2412.00]   Show Hide
I 2373.00 NIST
I 2412.00 NIST
I 2396.00 NIST
I 2373.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [442.73; 526.13] J/mol×K [620.66; 846.08] Show Hide
Cp,gas 442.73 J/mol×K 620.66 Joback Calculated Property
Cp,gas 458.28 J/mol×K 658.23 Joback Calculated Property
Cp,gas 473.01 J/mol×K 695.80 Joback Calculated Property
Cp,gas 487.06 J/mol×K 733.37 Joback Calculated Property
Cp,gas 500.52 J/mol×K 770.94 Joback Calculated Property
Cp,gas 513.50 J/mol×K 808.51 Joback Calculated Property
Cp,gas 526.13 J/mol×K 846.08 Joback Calculated Property

Similar Compounds

2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-. Chromene, 6-ethenyl-7-methoxy, 2,2-dimethyl. 7-Hydroxy-2,2-dimethylchromene. Encecalin. eupatoriochromene. (E)-Werneria chromene. 2H-1-Benzopyran, 2,2-dimethyl-. Desmethoxyencecalin. 6-(1'-Hydroxyethyl)-2,2-dimethylchromene. 6-(1'-Hydroxyethyl)-7-methoxy-2,2-dimethylchromene. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. Maprotiline M(tri-HO), triacetylated. Doxepin M(HO), acetylated, isomer # 1. Doxepin M(Nor-HO), diacetylated, isomer # 2. Doxepin M(HO), acetylated, isomer # 2.

Find more compounds similar to 2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-.

Sources

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