Chemical Properties of Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl undecyl ester

InChI

InChI=1S/C23H32F4O4/c1-2-3-4-5-6-7-8-9-10-16-30-21(28)14-15-22(29)31-17-18-19(23(25,26)27)12-11-13-20(18)24/h11-13H,2-10,14-17H2,1H3

InChI Key

QPBSTVSAQUBYRM-UHFFFAOYSA-N

Formula

C23H32F4O4

SMILES

CCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

448.49

• 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°	-1008.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1587.25	kJ/mol	Joback Calculated Property
ΔfusH°	59.07	kJ/mol	Joback Calculated Property
ΔvapH°	84.14	kJ/mol	Joback Calculated Property
log10WS	-7.79		Crippen Calculated Property
logPoct/wat	6.742		Crippen Calculated Property
McVol	333.130	ml/mol	McGowan Calculated Property
Pc	980.23	kPa	Joback Calculated Property
Inp	[2607.00; 2607.00]
Inp	2607.00		NIST
Inp	2607.00		NIST
Tboil	908.71	K	Joback Calculated Property
Tc	1112.56	K	Joback Calculated Property
Tfus	549.53	K	Joback Calculated Property
Vc	1.325	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1086.19; 1164.21]	J/mol×K	[908.71; 1112.56]
Cp,gas	1086.19	J/mol×K	908.71	Joback Calculated Property
Cp,gas	1102.05	J/mol×K	942.68	Joback Calculated Property
Cp,gas	1116.71	J/mol×K	976.66	Joback Calculated Property
Cp,gas	1130.21	J/mol×K	1010.63	Joback Calculated Property
Cp,gas	1142.59	J/mol×K	1044.61	Joback Calculated Property
Cp,gas	1153.91	J/mol×K	1078.58	Joback Calculated Property
Cp,gas	1164.21	J/mol×K	1112.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl undecyl ester.

Sources

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

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