Chemical Properties of 3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(3H)-one (CAS 16642-41-4)

3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(3H)-one

InChI
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-7H,3-5H2,1-2H3
InChI Key
APRDSJRFFKMSPY-UHFFFAOYSA-N
Formula
C10H14O2
SMILES
CC1CCC2=C(C1)OC(=O)C2C
Molecular Weight1
166.22
CAS
16642-41-4
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Physical Properties

Property Value Unit Source
ω 0.3969 Relay (1.0) Calculated Property
ΔfG° -79.49 kJ/mol Joback Calculated Property
ΔfH°gas -377.27 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 19.56 kJ/mol Joback Calculated Property
ΔvapH° 59.51 kJ/mol Relay (1.0) Calculated Property
IE 8.73 eV Relay (1.0) Calculated Property
log10WS -2.41 Relay (1.0) Calculated Property
logPoct/wat 2.253 Crippen Calculated Property
McVol 133.180 ml/mol McGowan Calculated Property
Pc 3049.04 kPa Joback Calculated Property
Inp 1353.80 NIST
Tboil 522.47 K Relay (1.0) Calculated Property
Tc 735.06 K Relay (1.0) Calculated Property
Tfus 365.51 K Relay (1.0) Calculated Property
Vc 0.471 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [338.43; 428.34] J/mol×K [558.38; 791.07] Show Hide
Cp,gas 338.43 J/mol×K 558.38 Joback Calculated Property
Cp,gas 355.83 J/mol×K 597.16 Joback Calculated Property
Cp,gas 372.24 J/mol×K 635.94 Joback Calculated Property
Cp,gas 387.67 J/mol×K 674.73 Joback Calculated Property
Cp,gas 402.16 J/mol×K 713.51 Joback Calculated Property
Cp,gas 415.71 J/mol×K 752.29 Joback Calculated Property
Cp,gas 428.34 J/mol×K 791.07 Joback Calculated Property

Similar Compounds

(3aR,4aS,5R,9aS)-5,8-Dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one. 16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate. 1«beta»-acetoxyfurano-3-eudesmene. 5,8-Epoxyamorpha-3,7(11)-diene. 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-. (Z)-«gamma»-Curcumyl 2-methylbutanoate. (3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one. Guaia-1(10),11-dien-15,2-olide. Pregnenolone palmitate. 5-Pregnen-3«beta»-ol-20-one, hexanoate. Aristol-1(10)-en-9-yl isovalerate. 5-Pregnen-3«beta»-ol-20-one, butyrate. Glutaric acid, myrtenyl 3-methylbut-2-yl ester. 6,11-Epoxyguaia-4,9-diene. (+)-(1R,5S,6R,9R,10R)-5,9-Epoxyamorpha-3,7(11)-diene.

Find more compounds similar to 3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(3H)-one.

Sources

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