Chemical Properties of (+)«beta»-Desmotroposantonin methyl ether (CAS 1693-61-4)

(+)«beta»-Desmotroposantonin methyl ether

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InChI
InChI=1S/C16H20O3/c1-8-7-13(18-4)10(3)14-11(8)5-6-12-9(2)16(17)19-15(12)14/h7,9,12,15H,5-6H2,1-4H3
InChI Key
GNCNKCJJKNUKGL-UHFFFAOYSA-N
Formula
C16H20O3
SMILES
COc1cc(C)c2c(c1C)C1OC(=O)C(C)C1CC2
Molecular Weight1
260.33
CAS
1693-61-4
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Physical Properties

Property Value Unit Source
ΔcH°solid -8486.30 ± 1.90 kJ/mol NIST
ΔfG° -54.29 kJ/mol Joback Calculated Property
ΔfH°gas -465.74 kJ/mol Joback Calculated Property
ΔfH°solid -668.20 ± 1.90 kJ/mol NIST
ΔfusH° 33.60 kJ/mol Joback Calculated Property
ΔvapH° 66.99 kJ/mol Joback Calculated Property
log10WS -4.03 Crippen Calculated Property
logPoct/wat 3.108 Crippen Calculated Property
McVol 204.130 ml/mol McGowan Calculated Property
Pc 2025.41 kPa Joback Calculated Property
Tboil 742.35 K Joback Calculated Property
Tc 974.63 K Joback Calculated Property
Tfus 491.72 K Joback Calculated Property
Vc 0.774 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [619.39; 711.64] J/mol×K [742.35; 974.63] Show Hide
Cp,gas 619.39 J/mol×K 742.35 Joback Calculated Property
Cp,gas 637.81 J/mol×K 781.06 Joback Calculated Property
Cp,gas 654.98 J/mol×K 819.78 Joback Calculated Property
Cp,gas 670.93 J/mol×K 858.49 Joback Calculated Property
Cp,gas 685.67 J/mol×K 897.20 Joback Calculated Property
Cp,gas 699.23 J/mol×K 935.92 Joback Calculated Property
Cp,gas 711.64 J/mol×K 974.63 Joback Calculated Property

Similar Compounds

(+)«beta»-Desmotroposantonin acetate. (-)«alpha»-Desmotroposantonin acetate. Nalmefene, bis(trifluoroacetate). Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. «delta»1-tetrahydrocannabinolic acid, phenyl-boronate. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. Paclitaxel. Deserpidine. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to (+)«beta»-Desmotroposantonin methyl ether.

Sources

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