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

InChI

InChI=1S/C23H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-34-18(32)14-15-19(33)35-17-21(26,27)23(30,31)22(28,29)20(24)25/h14-15,20H,2-13,16-17H2,1H3/b15-14+

InChI Key

ZIPBMKNEKKDDTJ-CCEZHUSRSA-N

Formula

C23H34F8O4

SMILES

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

Molecular Weight¹

526.50

• 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°	-1797.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-2490.84	kJ/mol	Joback Calculated Property
ΔfusH°	59.98	kJ/mol	Joback Calculated Property
ΔvapH°	74.25	kJ/mol	Joback Calculated Property
log10WS	-8.28		Crippen Calculated Property
logPoct/wat	7.501		Crippen Calculated Property
McVol	359.670	ml/mol	McGowan Calculated Property
Pc	781.56	kPa	Joback Calculated Property
Inp	[2416.00; 2416.00]
Inp	2416.00		NIST
Inp	2416.00		NIST
Tboil	866.41	K	Joback Calculated Property
Tc	1064.95	K	Joback Calculated Property
Tfus	485.19	K	Joback Calculated Property
Vc	1.456	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1187.02; 1278.19]	J/mol×K	[866.41; 1064.95]
Cp,gas	1187.02	J/mol×K	866.41	Joback Calculated Property
Cp,gas	1204.68	J/mol×K	899.50	Joback Calculated Property
Cp,gas	1221.22	J/mol×K	932.59	Joback Calculated Property
Cp,gas	1236.75	J/mol×K	965.68	Joback Calculated Property
Cp,gas	1251.36	J/mol×K	998.77	Joback Calculated Property
Cp,gas	1265.14	J/mol×K	1031.86	Joback Calculated Property
Cp,gas	1278.19	J/mol×K	1064.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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