Chemical Properties of Succinic acid, dec-2-yl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C21H28F4O4/c1-3-4-5-6-7-8-10-15(2)28-18(26)13-14-19(27)29-17-12-9-11-16(20(17)22)21(23,24)25/h9,11-12,15H,3-8,10,13-14H2,1-2H3

InChI Key

DYIKHQMVIONQHS-UHFFFAOYSA-N

Formula

C21H28F4O4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

420.44

• 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°	-1027.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1551.25	kJ/mol	Joback Calculated Property
ΔfusH°	50.37	kJ/mol	Joback Calculated Property
ΔvapH°	79.30	kJ/mol	Joback Calculated Property
log10WS	-7.22		Crippen Calculated Property
logPoct/wat	6.212		Crippen Calculated Property
McVol	304.950	ml/mol	McGowan Calculated Property
Pc	1115.57	kPa	Joback Calculated Property
Inp	[2291.00; 2291.00]
Inp	2291.00		NIST
Inp	2291.00		NIST
Tboil	862.51	K	Joback Calculated Property
Tc	1057.99	K	Joback Calculated Property
Tfus	511.99	K	Joback Calculated Property
Vc	1.206	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[966.93; 1041.98]	J/mol×K	[862.51; 1057.99]
Cp,gas	966.93	J/mol×K	862.51	Joback Calculated Property
Cp,gas	982.03	J/mol×K	895.09	Joback Calculated Property
Cp,gas	996.04	J/mol×K	927.67	Joback Calculated Property
Cp,gas	1009.01	J/mol×K	960.25	Joback Calculated Property
Cp,gas	1020.96	J/mol×K	992.83	Joback Calculated Property
Cp,gas	1031.94	J/mol×K	1025.41	Joback Calculated Property
Cp,gas	1041.98	J/mol×K	1057.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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