Chemical Properties of 2H-1-benzopyran, 6,7-dimethoxy-2,2-dimethyl- (CAS 644-06-4)

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

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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
220.26
CAS
644-06-4
Other Names
  • 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
  • Ageratochromene
  • PRICOCENE II
  • Precocene 2
  • Precocene II
Sources

Physical Properties

Property Value Unit Source
Δf -80.90 kJ/mol Joback Calculated Property
Δfgas -366.31 kJ/mol Joback Calculated Property
Δfus 23.61 kJ/mol Joback Calculated Property
Δvap 57.35 kJ/mol Joback Calculated Property
logPoct/wat 2.89 Crippen Calculated Property
Pc 2532.82 kPa Joback Calculated Property
Tboil 620.66 K Joback Calculated Property
Tc 846.08 K Joback Calculated Property
Tfus 410.36 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 442.73 J/mol×K 620.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-O- (ring) 1
=CH- (ring) 4
=C< (ring) 4
>C< (ring) 1
-CH3 4

Similar Compounds

Precocene i. 7-Hydroxy-2,2-dimethylchromene. 6-vinyl-7-methoxy-2,2-dimethyl-chromene. (E)-Azarone. «beta»-Asarone. Asarone. 2H-1-Benzopyran, 2,2-dimethyl-. Amyloxy iso-eugenol. (Z)-1-(2',4',5'-Trimethoxyphenyl)butadiene. Trimethoxycinnamaldehyde. eupatoriochromene. (E)-Werneria chromene. Benzene-1,2,3,4-tetramethoxy-5-(propenyl). Encecalin. 2,4,5-Trimethoxy-styrene.

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

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