Chemical Properties of Glutaric acid, dodec-2-en-1-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C23H31F3O4/c1-2-3-4-5-6-7-8-9-10-11-17-29-20(27)13-12-14-21(28)30-19-16-15-18(24)22(25)23(19)26/h10-11,15-16H,2-9,12-14,17H2,1H3/b11-10+

InChI Key

BHMVHTWFRVLJDW-ZHACJKMWSA-N

Formula

C23H31F3O4

SMILES

CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

428.49

• 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°	-745.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1276.64	kJ/mol	Joback Calculated Property
ΔfusH°	63.22	kJ/mol	Joback Calculated Property
ΔvapH°	86.87	kJ/mol	Joback Calculated Property
log10WS	-7.78		Crippen Calculated Property
logPoct/wat	6.420		Crippen Calculated Property
McVol	327.060	ml/mol	McGowan Calculated Property
Pc	1020.08	kPa	Joback Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	921.81	K	Joback Calculated Property
Tc	1128.55	K	Joback Calculated Property
Tfus	553.96	K	Joback Calculated Property
Vc	1.298	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1050.30; 1126.66]	J/mol×K	[921.81; 1128.55]
Cp,gas	1050.30	J/mol×K	921.81	Joback Calculated Property
Cp,gas	1065.88	J/mol×K	956.27	Joback Calculated Property
Cp,gas	1080.27	J/mol×K	990.72	Joback Calculated Property
Cp,gas	1093.50	J/mol×K	1025.18	Joback Calculated Property
Cp,gas	1105.62	J/mol×K	1059.64	Joback Calculated Property
Cp,gas	1116.66	J/mol×K	1094.10	Joback Calculated Property
Cp,gas	1126.66	J/mol×K	1128.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 2,3,4-trifluorophenyl ester.

Sources

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

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