Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C16H13BrF8O5/c1-28-10-6-8(17)2-3-9(10)30-12(27)5-4-11(26)29-7-14(20,21)16(24,25)15(22,23)13(18)19/h2-3,6,13H,4-5,7H2,1H3

InChI Key

GKDOVCRFBNWPIE-UHFFFAOYSA-N

Formula

C16H13BrF8O5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

517.16

• 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	0.9100		Relay (1.0) Calculated Property
ΔfG°	-1933.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-2402.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.38	kJ/mol	Joback Calculated Property
ΔvapH°	98.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-6.41		Relay (1.0) Calculated Property
logPoct/wat	4.858		Crippen Calculated Property
McVol	264.950	ml/mol	McGowan Calculated Property
Pc	1474.75	kPa	Joback Calculated Property
Inp	[2207.00; 2207.00]
Inp	2207.00		NIST
Inp	2207.00		NIST
Tboil	626.14	K	Relay (1.0) Calculated Property
Tc	800.16	K	Relay (1.0) Calculated Property
Tfus	350.16	K	Relay (1.0) Calculated Property
Vc	0.962	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.42; 828.45]	J/mol×K	[827.31; 1020.70]
Cp,gas	778.42	J/mol×K	827.31	Joback Calculated Property
Cp,gas	788.70	J/mol×K	859.54	Joback Calculated Property
Cp,gas	798.13	J/mol×K	891.77	Joback Calculated Property
Cp,gas	806.76	J/mol×K	924.00	Joback Calculated Property
Cp,gas	814.66	J/mol×K	956.24	Joback Calculated Property
Cp,gas	821.87	J/mol×K	988.47	Joback Calculated Property
Cp,gas	828.45	J/mol×K	1020.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-bromo-2-methoxyphenyl ester.

Sources

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

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