Chemical Properties of 4H-Pyran-4-one, 2-methoxy-6-methyl- (CAS 4225-42-7)

4H-Pyran-4-one, 2-methoxy-6-methyl-

InChI
InChI=1S/C7H8O3/c1-5-3-6(8)4-7(9-2)10-5/h3-4H,1-2H3
InChI Key
SGHBBBQKUYEJPS-UHFFFAOYSA-N
Formula
C7H8O3
SMILES
COc1cc(=O)cc(C)o1
Molecular Weight1
140.14
CAS
4225-42-7
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Physical Properties

Property Value Unit Source
ω 0.4864 Relay (1.0) Calculated Property
ΔfG° -248.72 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -429.50 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 71.00 ± 3.00 kJ/mol NIST
IE 8.60 eV Relay (1.0) Calculated Property
log10WS -0.85 Relay (1.0) Calculated Property
logPoct/wat 0.957 Crippen Calculated Property
McVol 103.340 ml/mol McGowan Calculated Property
Pc 3889.47 kPa Relay (1.0-beta) Calculated Property
Tboil 515.39 K Relay (1.0) Calculated Property
Tc 673.39 K Relay (1.0) Calculated Property
Tfus 313.23 K Relay (1.0) Calculated Property
Vc 0.392 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 72.80 kJ/mol 377.00 NIST

Similar Compounds

4H-Pyran-4-one, 2,6-dimethyl-. 6-Methyl-2-methylthio-4-pyrone. Rubrofusarin, TMS. Khellin. 4H-Pyran-4-one, 5-hydroxy-2-methyl-. Toralactone, TMS. Urea,[4-(2-furylmethyl(methyl)amino)-2,2-diphenyl-n-butyl]-. 4H-1-Benzopyran-4-one, 2-methyl-. Butamifos. Glyburide. Oxypertine. Mianserin. 2,6-Methano-1,4(2h)-benzoxazocin-5(6h)-one,4(3h)-cyclohexyl-6-phenyl-. 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-. Indomethacin, ethyl ester.

Find more compounds similar to 4H-Pyran-4-one, 2-methoxy-6-methyl-.

Sources

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