Chemical Properties of Bicyclo-2.2.1-heptane-2,3-dione,6-(acetyloxy)

Bicyclo-2.2.1-heptane-2,3-dione,6-(acetyloxy)

InChI
InChI=1S/C9H10O4/c1-4(10)13-7-3-5-2-6(7)9(12)8(5)11/h5-7H,2-3H2,1H3
InChI Key
JMULAZWICUTIIB-UHFFFAOYSA-N
Formula
C9H10O4
SMILES
CC(=O)OC1CC2CC1C(=O)C2=O
Molecular Weight1
182.17
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Physical Properties

Property Value Unit Source
ω 0.4998 Relay (1.0) Calculated Property
ΔfG° -352.51 kJ/mol Joback Calculated Property
ΔfH°gas -651.35 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.11 kJ/mol Joback Calculated Property
ΔvapH° 78.53 kJ/mol Relay (1.0) Calculated Property
IE 9.49 eV Relay (1.0) Calculated Property
log10WS -1.38 Relay (1.0) Calculated Property
logPoct/wat 0.096 Crippen Calculated Property
McVol 126.530 ml/mol McGowan Calculated Property
Pc 3403.91 kPa Joback Calculated Property
Inp 1684.00 NIST
Tboil 516.58 K Relay (1.0) Calculated Property
Tc 765.64 K Relay (1.0) Calculated Property
Tfus 383.97 K Relay (1.0) Calculated Property
Vc 0.469 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [352.36; 429.75] J/mol×K [630.33; 867.40] Show Hide
Cp,gas 352.36 J/mol×K 630.33 Joback Calculated Property
Cp,gas 367.62 J/mol×K 669.84 Joback Calculated Property
Cp,gas 381.96 J/mol×K 709.35 Joback Calculated Property
Cp,gas 395.37 J/mol×K 748.87 Joback Calculated Property
Cp,gas 407.81 J/mol×K 788.38 Joback Calculated Property
Cp,gas 419.28 J/mol×K 827.89 Joback Calculated Property
Cp,gas 429.75 J/mol×K 867.40 Joback Calculated Property

Similar Compounds

6-Acetyl-5,8,8-trimethylbicyclo[3.2.1]octan-2,3-dione. 6-Oxobornyl acetate. 5Alpha-pregnan-20-one, 16alpha, 17alpha-epoxy-3beta-hydroxy-, acetate. 3Beta-acetoxy-11beta-hydroxy-5beta-androstan-17-one. 3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone. Bicyclo[2.4.0]octan-2-one, 3,3-dimethyl-5-oxa-. 3«beta»-Acetoxy-30-norlupan-20-one. 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate. (3R,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. (3S,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. (3R,3aR,6R,7[a]S)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. Chrysanthenone epoxide. Acetic acid, (17beta-hydroxy-3-oxo-5beta-androstan-16-beta-yl)-, lactone. 3-Ethoxy-8,8-dimethyl-2-oxa-bicyclo[4.2.0]octan-7-one. Norursodeoxycholic acid, acetate-methyl ester.

Find more compounds similar to Bicyclo-2.2.1-heptane-2,3-dione,6-(acetyloxy).

Sources

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