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

InChI

InChI=1S/C16H22F8O4/c1-8(2)12(9(3)4)28-11(26)6-5-10(25)27-7-14(19,20)16(23,24)15(21,22)13(17)18/h8-9,12-13H,5-7H2,1-4H3

InChI Key

IBHUVQHWWCNUAQ-UHFFFAOYSA-N

Formula

C16H22F8O4

SMILES

CC(C)C(OC(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(C)C

Molecular Weight¹

430.33

• 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	0.7966		Relay (... Calculated Property
ΔfG°	-1943.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-2570.56	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.08	kJ/mol	Joback Calculated Property
ΔvapH°	80.99	kJ/mol	Relay (... Calculated Property
IE	10.09	eV	Relay (... Calculated Property
log10WS	-5.64		Relay (... Calculated Property
logPoct/wat	4.705		Crippen Calculated Property
McVol	265.340	ml/mol	McGowan Calculated Property
Pc	1162.45	kPa	Joback Calculated Property
Inp	[1590.00; 1590.00]
Inp	1590.00		NIST
Inp	1590.00		NIST
Tboil	552.50	K	Relay (... Calculated Property
Tc	685.83	K	Relay (... Calculated Property
Tfus	288.90	K	Relay (... Calculated Property
Vc	0.987	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.38; 879.70]	J/mol×K	[700.77; 865.65]
Cp,gas	804.38	J/mol×K	700.77	Joback Calculated Property
Cp,gas	818.96	J/mol×K	728.25	Joback Calculated Property
Cp,gas	832.67	J/mol×K	755.73	Joback Calculated Property
Cp,gas	845.56	J/mol×K	783.21	Joback Calculated Property
Cp,gas	857.67	J/mol×K	810.69	Joback Calculated Property
Cp,gas	869.04	J/mol×K	838.17	Joback Calculated Property
Cp,gas	879.70	J/mol×K	865.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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