Chemical Properties of Succinic acid, decyl 3,4-difluorobenzyl ester

InChI

InChI=1S/C21H30F2O4/c1-2-3-4-5-6-7-8-9-14-26-20(24)12-13-21(25)27-16-17-10-11-18(22)19(23)15-17/h10-11,15H,2-9,12-14,16H2,1H3

InChI Key

WFCKIBMEZYGTSK-UHFFFAOYSA-N

Formula

C21H30F2O4

SMILES

CCCCCCCCCCOC(=O)CCC(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

384.46

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1201.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.31	kJ/mol	Joback Calculated Property
ΔvapH°	108.22	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	5.472		Crippen Calculated Property
McVol	301.410	ml/mol	McGowan Calculated Property
Pc	1101.54	kPa	Joback Calculated Property
Inp	[2525.00; 2525.00]
Inp	2525.00		NIST
Inp	2525.00		NIST
Tboil	633.95	K	Relay (1.0) Calculated Property
Tc	822.77	K	Relay (1.0) Calculated Property
Tfus	286.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[447.89; 1008.49]	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			4.14920e+01
Coefficient B			1.71492e+00
Coefficient C			-8.59320e-04
Coefficient D			1.11400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	447.89	J/mol×K	273.00	Calculated Property
Cp,gas	545.57	J/mol×K	353.78	Calculated Property
Cp,gas	633.59	J/mol×K	434.56	Calculated Property
Cp,gas	712.28	J/mol×K	515.33	Calculated Property
Cp,gas	782.01	J/mol×K	596.11	Calculated Property
Cp,gas	843.13	J/mol×K	676.89	Calculated Property
Cp,gas	895.98	J/mol×K	757.67	Calculated Property
Cp,gas	940.93	J/mol×K	838.44	Calculated Property
Cp,gas	978.31	J/mol×K	919.22	Calculated Property
Cp,gas	1008.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, decyl 3,4-difluorobenzyl ester.

Sources

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

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