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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1064.54; 1321.58]	J/mol×K	[1046.64; 1281.68]
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

Find more compounds similar to Neosolaniol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.