Chemical Properties of 1,10;7,10-Bisepoxy-1,10-seco-calamenene

1,10;7,10-Bisepoxy-1,10-seco-calamenene

InChI
InChI=1S/C14H18O2/c1-10(2)14-9-8-13(3,16-14)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3/t13?,14-/m1/s1
InChI Key
DMGNVVXBTUCRCK-ARLHGKGLSA-N
Formula
C14H18O2
SMILES
CC(C)C12CCC(C)(Oc3ccccc31)O2
Molecular Weight1
218.29
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Physical Properties

Property Value Unit Source
ω 0.4492 Relay (1.0) Calculated Property
ΔfG° 105.62 kJ/mol Joback Calculated Property
ΔfH°gas -318.67 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.78 kJ/mol Joback Calculated Property
ΔvapH° 71.37 kJ/mol Relay (1.0) Calculated Property
IE 7.85 eV Relay (1.0) Calculated Property
log10WS -3.08 Relay (1.0) Calculated Property
logPoct/wat 3.457 Crippen Calculated Property
McVol 174.380 ml/mol McGowan Calculated Property
Pc 2752.67 kPa Joback Calculated Property
Inp 1573.00 NIST
I 2049.00 NIST
Tboil 529.78 K Relay (1.0) Calculated Property
Tc 795.77 K Relay (1.0) Calculated Property
Tfus 307.43 K Relay (1.0) Calculated Property
Vc 0.675 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [475.86; 572.16] J/mol×K [618.80; 861.89] Show Hide
Cp,gas 475.86 J/mol×K 618.80 Joback Calculated Property
Cp,gas 493.45 J/mol×K 659.31 Joback Calculated Property
Cp,gas 509.92 J/mol×K 699.83 Joback Calculated Property
Cp,gas 525.66 J/mol×K 740.34 Joback Calculated Property
Cp,gas 541.03 J/mol×K 780.86 Joback Calculated Property
Cp,gas 556.40 J/mol×K 821.37 Joback Calculated Property
Cp,gas 572.16 J/mol×K 861.89 Joback Calculated Property

Similar Compounds

6,7;7,10-Bisepoxy-6,7-seco-calamenene. ethyl eburnamenine-14-carboxylate. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 1,10;7,10-Bisepoxy-1,10-seco-calamenene.

Sources

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