Chemical Properties of Bicyclo[2.4.0]octan-2-one, 3,3-dimethyl-5-oxa- (CAS 7176-96-7)

Bicyclo[2.4.0]octan-2-one, 3,3-dimethyl-5-oxa-

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InChI
InChI=1S/C9H14O2/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6,8H,3-5H2,1-2H3
InChI Key
KLTAJTHKXFNMDQ-UHFFFAOYSA-N
Formula
C9H14O2
SMILES
CC1(C)C(=O)C2CCCOC21
Molecular Weight1
154.21
CAS
7176-96-7
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Physical Properties

Property Value Unit Source
ω 0.3626 Relay (... Calculated Property
ΔfG° -99.71 kJ/mol Joback Calculated Property
ΔfH°gas -327.09 kJ/mol Relay (... Calculated Property
ΔfusH° 13.40 kJ/mol Joback Calculated Property
ΔvapH° 54.44 kJ/mol Relay (... Calculated Property
IE 9.06 eV Relay (... Calculated Property
log10WS -1.00 Relay (... Calculated Property
logPoct/wat 1.390 Crippen Calculated Property
McVol 123.390 ml/mol McGowan Calculated Property
Pc 3325.84 kPa Joback Calculated Property
Tboil 479.72 K Relay (... Calculated Property
Tc 715.88 K Relay (... Calculated Property
Tfus 346.89 K Relay (... Calculated Property
Vc 0.433 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [309.65; 401.38] J/mol×K [517.68; 751.35] Show Hide
Cp,gas 309.65 J/mol×K 517.68 Joback Calculated Property
Cp,gas 327.47 J/mol×K 556.62 Joback Calculated Property
Cp,gas 344.09 J/mol×K 595.57 Joback Calculated Property
Cp,gas 359.66 J/mol×K 634.51 Joback Calculated Property
Cp,gas 374.31 J/mol×K 673.46 Joback Calculated Property
Cp,gas 388.17 J/mol×K 712.40 Joback Calculated Property
Cp,gas 401.38 J/mol×K 751.35 Joback Calculated Property

Similar Compounds

3-Ethoxy-8,8-dimethyl-2-oxa-bicyclo[4.2.0]octan-7-one. (2R,5S)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-7-one. Chrysanthenone epoxide. Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester. Bicyclo-2.2.1-heptane-2,3-dione,6-(acetyloxy). 4,2,7-Ethanylylidenecyclopenta[b]pyran-9-one, 2,3,4,4a,7,7a-hexahydro-. 3-Hydroxyisodavanone. 6-Oxo-isoambroxide. 3,4-dihydro-3-oxoactinidol. 16«alpha»,17-dihydroxy-16,17-dihydroGA4-17-O-«beta»-D-glucopyranoside, permethylated. cis-carvenone oxide. trans-carvenone oxide. 7-Oxabicyclo[4.1.0]heptan-2-one, 3-methyl-6-(1-methylethyl)-. Methyl 7-epi-6,10-epoxybisabol-3-en-12-oate. Methyl 6,10-epoxybisabol-3-en-12-oate.

Find more compounds similar to Bicyclo[2.4.0]octan-2-one, 3,3-dimethyl-5-oxa-.

Sources

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