Chemical Properties of Neosolaniol (CAS 36519-25-2)

Neosolaniol

PDF Excel Molecule Calculator
InChI
InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13?,14-,15-,16?,17?,18?,19?/m0/s1
InChI Key
TVZHDVCTOCZDNE-MGIQOYISSA-N
Formula
C19H26O8
SMILES
CC(=O)OCC12CC(O)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2
Molecular Weight1
382.40
CAS
36519-25-2
Other Names
  • Neozolaniol
  • Solaniol (sesquiterpene)
  • Solaniol
  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3«alpha»,4«beta»,8«alpha»)-
  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate
  • Trichothec-9-ene-3-«alpha»,4-«beta»,8-«alpha»,15-tetrol, 12,13-epoxy-, 4,15-diacetate
  • 4-«beta»,15-Diacetoxy-3-«alpha»,8-«alpha»-dihydroxy-12,13-epoxytrichothec-9-ene
  • Trichothec-9-ene, 12,13-epoxy-4-«beta»,15-diacetoxy-3-«alpha»,8-«alpha»-dihydroxy-
  • NSC 197212
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
Δf -612.80 kJ/mol Joback Calculated Property
Δfgas -1204.00 kJ/mol Joback Calculated Property
Δfus 49.24 kJ/mol Joback Calculated Property
Δvap 114.84 kJ/mol Joback Calculated Property
log10WS -1.82 Crippen Calculated Property
logPoct/wat 0.096 Crippen Calculated Property
McVol 269.190 ml/mol McGowan Calculated Property
Pc 2085.03 kPa Joback Calculated Property
Inp 2652.00 NIST
Tboil 1046.64 K Joback Calculated Property
Tc 1281.68 K Joback Calculated Property
Tfus 755.73 K Joback Calculated Property
Vc 1.016 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1064.54; 1321.58] J/mol×K [1046.64; 1281.68] Show Hide
Cp,gas 1064.54 J/mol×K 1046.64 Joback Calculated Property
Cp,gas 1098.28 J/mol×K 1085.81 Joback Calculated Property
Cp,gas 1135.09 J/mol×K 1124.99 Joback Calculated Property
Cp,gas 1175.40 J/mol×K 1164.16 Joback Calculated Property
Cp,gas 1219.63 J/mol×K 1203.33 Joback Calculated Property
Cp,gas 1268.21 J/mol×K 1242.50 Joback Calculated Property
Cp,gas 1321.58 J/mol×K 1281.68 Joback Calculated Property

Similar Compounds

T-2 Tetraol. T-2 toxin. T-2 Mycotoxin. Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3«alpha»,4«beta»,8«alpha»)-. Trichothec-9-ene-3-«alpha»,4-«beta»,8-«alpha»,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate,8-isovalerate. Diacetoxyscirpenol. Desacetylanguidine. GA3-13-O-glucoside, permethylated. Ouabain. «gamma»-Ponalactone. Digitoxin. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). azadirachtin. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate.

Find more compounds similar to Neosolaniol.

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.