Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C16H10F12O4/c17-11-7(15(24,25)26)2-1-3-8(11)32-10(30)5-4-9(29)31-6-13(20,21)16(27,28)14(22,23)12(18)19/h1-3,12H,4-6H2

InChI Key

NDDYNDOIFACPLU-UHFFFAOYSA-N

Formula

C16H10F12O4

SMILES

O=C(CCC(=O)Oc1cccc(C(F)(F)F)c1F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

494.23

• 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	0.8612		Relay (... Calculated Property
ΔfG°	-2619.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-3085.53	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.81	kJ/mol	Joback Calculated Property
ΔvapH°	88.05	kJ/mol	Relay (... Calculated Property
IE	9.56	eV	Relay (... Calculated Property
log10WS	-6.78		Relay (... Calculated Property
logPoct/wat	5.244		Crippen Calculated Property
McVol	248.660	ml/mol	McGowan Calculated Property
Pc	1260.16	kPa	Joback Calculated Property
Inp	[1721.00; 1721.00]
Inp	1721.00		NIST
Inp	1721.00		NIST
Tboil	572.88	K	Relay (... Calculated Property
Tc	749.80	K	Relay (... Calculated Property
Tfus	346.73	K	Relay (... Calculated Property
Vc	0.948	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.61; 804.92]	J/mol×K	[732.58; 902.66]
Cp,gas	750.61	J/mol×K	732.58	Joback Calculated Property
Cp,gas	761.50	J/mol×K	760.93	Joback Calculated Property
Cp,gas	771.58	J/mol×K	789.27	Joback Calculated Property
Cp,gas	780.91	J/mol×K	817.62	Joback Calculated Property
Cp,gas	789.55	J/mol×K	845.97	Joback Calculated Property
Cp,gas	797.53	J/mol×K	874.31	Joback Calculated Property
Cp,gas	804.92	J/mol×K	902.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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