Chemical Properties of Zearalenone bis(trifluoroacetate)

InChI

InChI=1S/C22H20F6O7/c1-12-6-5-9-14(29)8-4-2-3-7-13-10-15(34-19(31)21(23,24)25)11-16(17(13)18(30)33-12)35-20(32)22(26,27)28/h3,7,10-12H,2,4-6,8-9H2,1H3/b7-3+

InChI Key

HPXZUGAUANXHJR-XVNBXDOJSA-N

Formula

C22H20F6O7

SMILES

CC1CCCC(=O)CCCC=Cc2cc(OC(=O)C(F)(F)F)cc(OC(=O)C(F)(F)F)c2C(=O)O1

Molecular Weight¹

510.38

Other Names

• 17924-92-4, F3Ac

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8315		Relay (1.0) Calculated Property
ΔfG°	-1762.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-2390.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.29	kJ/mol	Joback Calculated Property
ΔvapH°	112.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-5.95		Relay (1.0) Calculated Property
logPoct/wat	5.104		Crippen Calculated Property
McVol	316.430	ml/mol	McGowan Calculated Property
Pc	1339.80	kPa	Joback Calculated Property
Inp	[2409.00; 2409.00]
Inp	2409.00		NIST
Inp	2409.00		NIST
Tboil	725.40	K	Relay (1.0) Calculated Property
Tc	919.52	K	Relay (1.0) Calculated Property
Tfus	398.86	K	Relay (1.0) Calculated Property
Vc	1.067	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1041.12; 1085.97]	J/mol×K	[1093.04; 1342.30]
Cp,gas	1084.52	J/mol×K	1093.04	Joback Calculated Property
Cp,gas	1085.97	J/mol×K	1134.58	Joback Calculated Property
Cp,gas	1084.03	J/mol×K	1176.13	Joback Calculated Property
Cp,gas	1078.64	J/mol×K	1217.67	Joback Calculated Property
Cp,gas	1069.74	J/mol×K	1259.21	Joback Calculated Property
Cp,gas	1057.25	J/mol×K	1300.75	Joback Calculated Property
Cp,gas	1041.12	J/mol×K	1342.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Zearalenone bis(trifluoroacetate).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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