Chemical Properties of Fumaric acid, pentafluorophenyl tetradecyl ester

InChI

InChI=1S/C24H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-32-17(30)14-15-18(31)33-24-22(28)20(26)19(25)21(27)23(24)29/h14-15H,2-13,16H2,1H3/b15-14+

InChI Key

LOKAYIIQECNIRC-CCEZHUSRSA-N

Formula

C24H31F5O4

SMILES

CCCCCCCCCCCCCCOC(=O)C=CC(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

478.49

• 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°	-1146.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1712.44	kJ/mol	Joback Calculated Property
ΔfusH°	71.19	kJ/mol	Joback Calculated Property
ΔvapH°	88.79	kJ/mol	Joback Calculated Property
log10WS	-8.86		Crippen Calculated Property
logPoct/wat	7.088		Crippen Calculated Property
McVol	344.690	ml/mol	McGowan Calculated Property
Pc	892.67	kPa	Joback Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	953.19	K	Joback Calculated Property
Tc	1171.15	K	Joback Calculated Property
Tfus	591.45	K	Joback Calculated Property
Vc	1.389	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1123.50; 1198.44]	J/mol×K	[953.19; 1171.15]
Cp,gas	1123.50	J/mol×K	953.19	Joback Calculated Property
Cp,gas	1139.29	J/mol×K	989.52	Joback Calculated Property
Cp,gas	1153.72	J/mol×K	1025.84	Joback Calculated Property
Cp,gas	1166.81	J/mol×K	1062.17	Joback Calculated Property
Cp,gas	1178.61	J/mol×K	1098.50	Joback Calculated Property
Cp,gas	1189.14	J/mol×K	1134.83	Joback Calculated Property
Cp,gas	1198.44	J/mol×K	1171.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, pentafluorophenyl tetradecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.