Chemical Properties of Fumaric acid, pentafluorobenzyl dodec-2-en-1-yl ester

InChI

InChI=1S/C23H27F5O4/c1-2-3-4-5-6-7-8-9-10-11-14-31-17(29)12-13-18(30)32-15-16-19(24)21(26)23(28)22(27)20(16)25/h10-13H,2-9,14-15H2,1H3/b11-10+,13-12+

InChI Key

ZPQWPEBUOYMGNJ-AQASXUMVSA-N

Formula

C23H27F5O4

SMILES

CCCCCCCCCC=CCOC(=O)C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

462.45

• 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°	-1074.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1574.58	kJ/mol	Joback Calculated Property
ΔfusH°	68.80	kJ/mol	Joback Calculated Property
ΔvapH°	86.52	kJ/mol	Joback Calculated Property
log10WS	-8.14		Crippen Calculated Property
logPoct/wat	6.222		Crippen Calculated Property
McVol	326.300	ml/mol	McGowan Calculated Property
Pc	977.17	kPa	Joback Calculated Property
Inp	[2639.00; 2639.00]
Inp	2639.00		NIST
Inp	2639.00		NIST
Tboil	934.47	K	Joback Calculated Property
Tc	1144.80	K	Joback Calculated Property
Tfus	575.10	K	Joback Calculated Property
Vc	1.313	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1034.75; 1107.41]	J/mol×K	[934.47; 1144.80]
Cp,gas	1034.75	J/mol×K	934.47	Joback Calculated Property
Cp,gas	1049.50	J/mol×K	969.53	Joback Calculated Property
Cp,gas	1063.14	J/mol×K	1004.58	Joback Calculated Property
Cp,gas	1075.71	J/mol×K	1039.64	Joback Calculated Property
Cp,gas	1087.25	J/mol×K	1074.69	Joback Calculated Property
Cp,gas	1097.81	J/mol×K	1109.75	Joback Calculated Property
Cp,gas	1107.41	J/mol×K	1144.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, pentafluorobenzyl dodec-2-en-1-yl ester.

Sources

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

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