Chemical Properties of Zearalenone, bis(pentafluoropropionate) (CAS 35-28-9)

InChI

InChI=1S/C24H20F10O7/c1-12-6-5-9-14(35)8-4-2-3-7-13-10-15(40-19(37)21(25,26)23(29,30)31)11-16(17(13)18(36)39-12)41-20(38)22(27,28)24(32,33)34/h3,7,10-12H,2,4-6,8-9H2,1H3/b7-3+

InChI Key

SSGUZRJHMCNOEF-XVNBXDOJSA-N

Formula

C24H20F10O7

SMILES

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

Molecular Weight¹

610.40

CAS

35-28-9

Other Names

• (E)-3-Methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclotetradecine-14,16-diyl bis(2,2,3,3,3-pentafluoropropanoate)
• 17924-92-4, F5P

• 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	0.9175		Relay (1.0) Calculated Property
ΔfG°	-2519.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-3283.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.96	kJ/mol	Joback Calculated Property
ΔvapH°	118.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-7.90		Relay (1.0) Calculated Property
logPoct/wat	6.374		Crippen Calculated Property
McVol	351.690	ml/mol	McGowan Calculated Property
Pc	1063.79	kPa	Joback Calculated Property
Inp	[2376.00; 2376.00]
Inp	2376.00		NIST
Inp	2376.00		NIST
Tboil	737.96	K	Relay (1.0) Calculated Property
Tc	911.62	K	Relay (1.0) Calculated Property
Tfus	390.58	K	Relay (1.0) Calculated Property
Vc	1.215	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1183.22; 1225.21]	J/mol×K	[1129.42; 1382.83]
Cp,gas	1224.61	J/mol×K	1129.42	Joback Calculated Property
Cp,gas	1225.21	J/mol×K	1171.65	Joback Calculated Property
Cp,gas	1222.79	J/mol×K	1213.89	Joback Calculated Property
Cp,gas	1217.37	J/mol×K	1256.12	Joback Calculated Property
Cp,gas	1208.95	J/mol×K	1298.36	Joback Calculated Property
Cp,gas	1197.56	J/mol×K	1340.59	Joback Calculated Property
Cp,gas	1183.22	J/mol×K	1382.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Zearalenone, bis(pentafluoropropionate).

Sources

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

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