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

InChI

InChI=1S/C17H16F8O4/c1-9-4-3-5-11(10(9)2)29-13(27)7-6-12(26)28-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-5,14H,6-8H2,1-2H3

InChI Key

PXKLQQZUZCPCFN-UHFFFAOYSA-N

Formula

C17H16F8O4

SMILES

Cc1cccc(OC(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1C

Molecular Weight¹

436.29

• 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°	-1834.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-2270.63	kJ/mol	Joback Calculated Property
ΔfusH°	37.50	kJ/mol	Joback Calculated Property
ΔvapH°	64.54	kJ/mol	Joback Calculated Property
log10WS	-5.79		Crippen Calculated Property
logPoct/wat	4.703		Crippen Calculated Property
McVol	255.670	ml/mol	McGowan Calculated Property
Pc	1320.39	kPa	Joback Calculated Property
Inp	[1945.00; 1945.00]
Inp	1945.00		NIST
Inp	1945.00		NIST
Tboil	761.61	K	Joback Calculated Property
Tc	942.89	K	Joback Calculated Property
Tfus	474.11	K	Joback Calculated Property
Vc	1.032	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[771.32; 833.80]	J/mol×K	[761.61; 942.89]
Cp,gas	771.32	J/mol×K	761.61	Joback Calculated Property
Cp,gas	783.75	J/mol×K	791.82	Joback Calculated Property
Cp,gas	795.31	J/mol×K	822.04	Joback Calculated Property
Cp,gas	806.04	J/mol×K	852.25	Joback Calculated Property
Cp,gas	816.00	J/mol×K	882.46	Joback Calculated Property
Cp,gas	825.24	J/mol×K	912.67	Joback Calculated Property
Cp,gas	833.80	J/mol×K	942.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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