Chemical Properties of Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester

InChI

InChI=1S/C14H16F8O4/c1-2-3-4-7-25-9(23)5-6-10(24)26-8-12(17,18)14(21,22)13(19,20)11(15)16/h5-6,11H,2-4,7-8H2,1H3/b6-5+

InChI Key

RRRZLVOBFDUMRO-AATRIKPKSA-N

Formula

C14H16F8O4

SMILES

CCCCCOC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

400.26

• 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	0.8034		Relay (... Calculated Property
ΔfG°	-1873.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-2424.42	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.67	kJ/mol	Joback Calculated Property
ΔvapH°	79.67	kJ/mol	Relay (... Calculated Property
IE	10.55	eV	Relay (... Calculated Property
log10WS	-5.94		Relay (... Calculated Property
logPoct/wat	3.990		Crippen Calculated Property
McVol	232.860	ml/mol	McGowan Calculated Property
Pc	1358.63	kPa	Joback Calculated Property
Inp	[1578.00; 1578.00]
Inp	1578.00		NIST
Inp	1578.00		NIST
Tboil	534.70	K	Relay (... Calculated Property
Tc	672.78	K	Relay (... Calculated Property
Tfus	290.81	K	Relay (... Calculated Property
Vc	0.859	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.38; 737.94]	J/mol×K	[660.49; 821.51]
Cp,gas	672.38	J/mol×K	660.49	Joback Calculated Property
Cp,gas	685.05	J/mol×K	687.33	Joback Calculated Property
Cp,gas	696.98	J/mol×K	714.16	Joback Calculated Property
Cp,gas	708.19	J/mol×K	741.00	Joback Calculated Property
Cp,gas	718.73	J/mol×K	767.84	Joback Calculated Property
Cp,gas	728.63	J/mol×K	794.68	Joback Calculated Property
Cp,gas	737.94	J/mol×K	821.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester.

Sources

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

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