Chemical Properties of (+)«beta»-Desmotroposantonin acetate (CAS 14794-69-5)

(+)«beta»-Desmotroposantonin acetate

PDF Excel Molecule Calculator
InChI
InChI=1S/C17H20O4/c1-8-7-14(20-11(4)18)10(3)15-12(8)5-6-13-9(2)17(19)21-16(13)15/h7,9,13,16H,5-6H2,1-4H3
InChI Key
ZWPKGSNVVQTUMS-UHFFFAOYSA-N
Formula
C17H20O4
SMILES
CC(=O)Oc1cc(C)c2c(c1C)C1OC(=O)C(C)C1CC2
Molecular Weight1
288.34
CAS
14794-69-5
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔcH°solid -8668.70 ± 1.80 kJ/mol NIST
ΔfG° -174.79 kJ/mol Joback Calculated Property
ΔfH°gas -598.96 kJ/mol Joback Calculated Property
ΔfH°solid -879.30 ± 1.80 kJ/mol NIST
ΔfusH° 37.79 kJ/mol Joback Calculated Property
ΔvapH° 75.96 kJ/mol Joback Calculated Property
log10WS -4.23 Crippen Calculated Property
logPoct/wat 3.025 Crippen Calculated Property
McVol 219.790 ml/mol McGowan Calculated Property
Pc 1966.56 kPa Joback Calculated Property
Tboil 819.10 K Joback Calculated Property
Tc 1052.72 K Joback Calculated Property
Tfus 552.92 K Joback Calculated Property
Vc 0.837 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [693.64; 774.01] J/mol×K [819.10; 1052.72] Show Hide
Cp,gas 693.64 J/mol×K 819.10 Joback Calculated Property
Cp,gas 710.21 J/mol×K 858.04 Joback Calculated Property
Cp,gas 725.48 J/mol×K 896.97 Joback Calculated Property
Cp,gas 739.46 J/mol×K 935.91 Joback Calculated Property
Cp,gas 752.20 J/mol×K 974.85 Joback Calculated Property
Cp,gas 763.71 J/mol×K 1013.79 Joback Calculated Property
Cp,gas 774.01 J/mol×K 1052.72 Joback Calculated Property

Similar Compounds

(-)«alpha»-Desmotroposantonin acetate. (+)«beta»-Desmotroposantonin methyl ether. Nalmefene, bis(trifluoroacetate). «delta»1-tetrahydrocannabinolic acid, phenyl-boronate. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. Acenaphthene-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 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. Ergocristine.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.