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

InChI

InChI=1S/C24H34F4O4/c1-2-3-4-5-6-7-8-9-10-11-17-31-22(29)15-16-23(30)32-18-19-20(24(26,27)28)13-12-14-21(19)25/h12-14H,2-11,15-18H2,1H3

InChI Key

DYEXYSWMYODUGW-UHFFFAOYSA-N

Formula

C24H34F4O4

SMILES

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

Molecular Weight¹

462.52

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1147		Relay (1.0) Calculated Property
ΔfG°	-999.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1718.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.66	kJ/mol	Joback Calculated Property
ΔvapH°	113.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-7.32		Relay (1.0) Calculated Property
logPoct/wat	7.132		Crippen Calculated Property
McVol	347.220	ml/mol	McGowan Calculated Property
Pc	923.86	kPa	Joback Calculated Property
Inp	[2708.00; 2708.00]
Inp	2708.00		NIST
Inp	2708.00		NIST
Tboil	662.90	K	Relay (1.0) Calculated Property
Tc	834.48	K	Relay (1.0) Calculated Property
Tfus	325.46	K	Relay (1.0) Calculated Property
Vc	1.300	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1147.01; 1226.54]	J/mol×K	[931.59; 1141.36]
Cp,gas	1147.01	J/mol×K	931.59	Joback Calculated Property
Cp,gas	1163.31	J/mol×K	966.55	Joback Calculated Property
Cp,gas	1178.32	J/mol×K	1001.51	Joback Calculated Property
Cp,gas	1192.09	J/mol×K	1036.47	Joback Calculated Property
Cp,gas	1204.68	J/mol×K	1071.44	Joback Calculated Property
Cp,gas	1216.14	J/mol×K	1106.40	Joback Calculated Property
Cp,gas	1226.54	J/mol×K	1141.36	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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