Chemical Properties of 2H-1-Benzopyran, 2,2-dimethyl- (CAS 2513-25-9)

2H-1-Benzopyran, 2,2-dimethyl-

InChI
InChI=1S/C11H12O/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-8H,1-2H3
InChI Key
SAXKWTPDZMBKSQ-UHFFFAOYSA-N
Formula
C11H12O
SMILES
CC1(C)C=Cc2ccccc2O1
Molecular Weight1
160.21
CAS
2513-25-9
Other Names
  • 2,2-Dimethylchromene
  • 2,2-Dimethylbenzopyran
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Physical Properties

Property Value Unit Source
Δfus 16.84 kJ/mol Joback Calculated Property
IE 7.80 ± 0.10 eV NIST
logPoct/wat 2.871 Crippen Calculated Property
McVol 132.800 ml/mol McGowan Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [299.61; 377.40] J/mol×K [520.30; 759.12] Show Hide
Cp,gas 299.61 J/mol×K 520.30 Joback Calculated Property
Cp,gas 315.19 J/mol×K 560.10 Joback Calculated Property
Cp,gas 329.48 J/mol×K 599.91 Joback Calculated Property
Cp,gas 342.66 J/mol×K 639.71 Joback Calculated Property
Cp,gas 354.92 J/mol×K 679.51 Joback Calculated Property
Cp,gas 366.44 J/mol×K 719.32 Joback Calculated Property
Cp,gas 377.40 J/mol×K 759.12 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 367.20 K 1.50 NIST

Similar Compounds

7-Hydroxy-2,2-dimethylchromene. 2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-. (E)-Werneria chromene. Desmethoxyencecalin. 2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-. Chromene, 6-ethenyl-7-methoxy, 2,2-dimethyl. 6-(1'-Hydroxyethyl)-2,2-dimethylchromene. Encecalin. eupatoriochromene. 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 8,8-dimethyl-. 2-Ethoxycinnamic acid. 6-(1'-Hydroxyethyl)-7-methoxy-2,2-dimethylchromene. o-Acetoxycinnamic acid. 2-Methoxycinnamic acid, tert-butyldimethylsilyl ester. 3-Buten-2-one, 4-(2-methoxyphenyl)-.

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

Sources

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