Chemical Properties of Succinic acid, 1-(2,6-difluorophenyl)ethyl undecyl ester

InChI

InChI=1S/C23H34F2O4/c1-3-4-5-6-7-8-9-10-11-17-28-21(26)15-16-22(27)29-18(2)23-19(24)13-12-14-20(23)25/h12-14,18H,3-11,15-17H2,1-2H3

InChI Key

FQQGOLNPCWBNKG-UHFFFAOYSA-N

Formula

C23H34F2O4

SMILES

CCCCCCCCCCCOC(=O)CCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

412.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.96	kJ/mol	Joback Calculated Property
ΔvapH°	113.94	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	6.423		Crippen Calculated Property
McVol	329.590	ml/mol	McGowan Calculated Property
Pc	978.40	kPa	Joback Calculated Property
Inp	[2628.00; 2628.00]
Inp	2628.00		NIST
Inp	2628.00		NIST
Tboil	635.78	K	Relay (1.0) Calculated Property
Tc	835.50	K	Relay (1.0) Calculated Property
Tfus	314.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[490.00; 1112.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.79920e+01
Coefficient B			1.91084e+00
Coefficient C			-9.71320e-04
Coefficient D			1.34700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.00	J/mol×K	273.00	Calculated Property
Cp,gas	598.40	J/mol×K	353.78	Calculated Property
Cp,gas	695.99	J/mol×K	434.56	Calculated Property
Cp,gas	783.19	J/mol×K	515.33	Calculated Property
Cp,gas	860.44	J/mol×K	596.11	Calculated Property
Cp,gas	928.16	J/mol×K	676.89	Calculated Property
Cp,gas	986.76	J/mol×K	757.67	Calculated Property
Cp,gas	1036.69	J/mol×K	838.44	Calculated Property
Cp,gas	1078.37	J/mol×K	919.22	Calculated Property
Cp,gas	1112.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2,6-difluorophenyl)ethyl undecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.