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

(+)«beta»-Desmotroposantonin methyl ether

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
ΔfH°solid -668.20 ± 1.90 kJ/mol NIST
ΔfusH° 34.68 kJ/mol Joback Calculated Property
logPoct/wat 3.108 Crippen Calculated Property
McVol 204.130 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [590.60; 677.42] J/mol×K [697.46; 910.25] Show Hide
Cp,gas 590.60 J/mol×K 697.46 Joback Calculated Property
Cp,gas 607.47 J/mol×K 732.93 Joback Calculated Property
Cp,gas 623.32 J/mol×K 768.39 Joback Calculated Property
Cp,gas 638.19 J/mol×K 803.86 Joback Calculated Property
Cp,gas 652.12 J/mol×K 839.32 Joback Calculated Property
Cp,gas 665.19 J/mol×K 874.79 Joback Calculated Property
Cp,gas 677.42 J/mol×K 910.25 Joback Calculated Property
η [0.0010074; 0.0017220] Pa×s [446.30; 697.46] Show Hide
η 0.0017220 Pa×s 446.30 Joback Calculated Property
η 0.0015157 Pa×s 488.16 Joback Calculated Property
η 0.0013612 Pa×s 530.02 Joback Calculated Property
η 0.0012418 Pa×s 571.88 Joback Calculated Property
η 0.0011472 Pa×s 613.74 Joback Calculated Property
η 0.0010706 Pa×s 655.60 Joback Calculated Property
η 0.0010074 Pa×s 697.46 Joback Calculated Property

Similar Compounds

(-)«alpha»-Desmotroposantonin acetate. (+)«beta»-Desmotroposantonin acetate. Nalmefene, bis(trifluoroacetate). .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. 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(endo)-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. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 6-O,N-Diacetylnorcodeine. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Dehydrojaconine. QUINIDINE, M(HO-), AC. Galantamin.

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

Sources

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