Chemical Properties of (3R,3aR,5R,6R,7aR)-3,6-Dimethyl-5-(prop-1-en-2-yl)-6-vinylhexahydrobenzofuran-2(3H)-one (CAS 66964-63-4)

(3R,3aR,5R,6R,7aR)-3,6-Dimethyl-5-(prop-1-en-2-yl)-6-vinylhexahydrobenzofuran-2(3H)-one

InChI
InChI=1S/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m0/s1
InChI Key
HHMGIPSZHRMYCD-MJDBTJCESA-N
Formula
C15H22O2
SMILES
C=CC1(C)CC2OC(=O)C(C)C2CC1C(=C)C
Molecular Weight1
234.33
CAS
66964-63-4
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Physical Properties

Property Value Unit Source
ω 0.3929 Relay (1.0) Calculated Property
ΔfG° 90.42 kJ/mol Joback Calculated Property
ΔfH°gas -357.34 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.11 kJ/mol Joback Calculated Property
ΔvapH° 81.32 kJ/mol Relay (1.0) Calculated Property
IE 9.20 eV Relay (1.0) Calculated Property
log10WS -3.85 Relay (1.0) Calculated Property
logPoct/wat 3.342 Crippen Calculated Property
McVol 199.330 ml/mol McGowan Calculated Property
Pc 1954.41 kPa Joback Calculated Property
Inp [1835.50; 1835.50]   Show Hide
Inp 1835.50 NIST
Inp 1835.50 NIST
Tboil 582.61 K Relay (1.0) Calculated Property
Tc 793.05 K Relay (1.0) Calculated Property
Tfus 316.02 K Relay (1.0) Calculated Property
Vc 0.684 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [575.05; 692.00] J/mol×K [643.13; 872.16] Show Hide
Cp,gas 575.05 J/mol×K 643.13 Joback Calculated Property
Cp,gas 597.18 J/mol×K 681.30 Joback Calculated Property
Cp,gas 618.07 J/mol×K 719.47 Joback Calculated Property
Cp,gas 637.86 J/mol×K 757.65 Joback Calculated Property
Cp,gas 656.69 J/mol×K 795.82 Joback Calculated Property
Cp,gas 674.69 J/mol×K 833.99 Joback Calculated Property
Cp,gas 692.00 J/mol×K 872.16 Joback Calculated Property

Similar Compounds

2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-7-(1-methylethenyl)-, [3S-(3«alpha»,3a«alpha»,6«alpha»,7«beta»,7a«beta»)]-. (3R,3aR,4aR,8aR,9aR)-3,8a-Dimethyl-5-methylene-3,3a,4,4a,5,6,9,9a-octahydronaphtho[2,3-b]furan-2(8aH)-one. (3R,3aR,4aR,8aS,9aR)-3,8a-Dimethyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one. Dihydrodehydrocostus lactone. «beta»-Cyclodihydrocostunolide. 2(3H)-Benzofuranone, 6-ethenylhexahydro-6-methyl-3-methylene-7-(1-methylethenyl)-, [3aS-(3a«alpha»,6«alpha»,7«beta»,7a«beta»)]-. (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. Cnidilide. 6,12-Epoxyelema-1,3-diene. 5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone. 8,9,10-trinorborn-5-ene-2-spiro-1'-(2'-(2-methylbutanoyloxy)cyclohexane). Germacranolide callitris. Aristolactone. Pregn-4-ene-3,20-dione, 11«alpha»-hydroxy-, acetate. Gibbane-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)-.

Find more compounds similar to (3R,3aR,5R,6R,7aR)-3,6-Dimethyl-5-(prop-1-en-2-yl)-6-vinylhexahydrobenzofuran-2(3H)-one.

Sources

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