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

InChI

InChI=1S/C24H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-15-32-18(30)13-12-14-19(31)33-16-17-20(25)22(27)24(29)23(28)21(17)26/h10-11H,2-9,12-16H2,1H3/b11-10+

InChI Key

UDYMXEZBGDRGSU-ZHACJKMWSA-N

Formula

C24H31F5O4

SMILES

CCCCCCCCCC=CCOC(=O)CCCC(=O)OCc1c(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	-8.70		Crippen Calculated Property
logPoct/wat	6.836		Crippen Calculated Property
McVol	344.690	ml/mol	McGowan Calculated Property
Pc	892.67	kPa	Joback Calculated Property
Inp	[2694.00; 2694.00]
Inp	2694.00		NIST
Inp	2694.00		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 Glutaric acid, dodec-2-en-1-yl pentafluorobenzyl ester.

Sources

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

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