Chemical Properties of Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3«alpha»,4«beta»,7«beta»)- (CAS 23255-69-8)

InChI

InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3

InChI Key

XGCUCFKWVIWWNW-UHFFFAOYSA-N

Formula

C17H22O8

SMILES

CC(=O)OC1C(O)C2OC3C=C(C)C(=O)C(O)C3(CO)C1(C)C21CO1

Molecular Weight¹

354.35

CAS

23255-69-8

Other Names

• Trichothec-9-en-8-one, 12,13-epoxy-3«alpha»,4«beta»,7«beta»,15-tetrahydroxy-, 4-acetate
• Fusarenon X
• Fusarenone X
• Fusarenon

• 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

Property	Value	Unit	Source
ΔfG°	-655.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1207.85	kJ/mol	Joback Calculated Property
ΔfusH°	44.87	kJ/mol	Joback Calculated Property
ΔvapH°	122.16	kJ/mol	Joback Calculated Property
log10WS	-0.67		Crippen Calculated Property
logPoct/wat	-1.296		Crippen Calculated Property
McVol	241.010	ml/mol	McGowan Calculated Property
Pc	2721.17	kPa	Joback Calculated Property
Inp	[2485.00; 2485.00]
Inp	2485.00		NIST
Inp	2485.00		NIST
Inp	2485.00		NIST
Tboil	1084.59	K	Joback Calculated Property
Tc	1328.00	K	Joback Calculated Property
Tfus	790.07	K	Joback Calculated Property
Vc	0.905	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1001.12; 1284.47]	J/mol×K	[1084.59; 1328.00]
Cp,gas	1001.12	J/mol×K	1084.59	Joback Calculated Property
Cp,gas	1037.63	J/mol×K	1125.16	Joback Calculated Property
Cp,gas	1077.83	J/mol×K	1165.73	Joback Calculated Property
Cp,gas	1122.16	J/mol×K	1206.30	Joback Calculated Property
Cp,gas	1171.08	J/mol×K	1246.86	Joback Calculated Property
Cp,gas	1225.03	J/mol×K	1287.43	Joback Calculated Property
Cp,gas	1284.47	J/mol×K	1328.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3«alpha»,4«beta»,7«beta»)-.

Sources

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

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