Chemical Properties of Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester

InChI

InChI=1S/C20H17F5O5/c1-10(2)29-12-5-3-4-6-13(12)30-15(27)8-7-14(26)28-9-11-16(21)18(23)20(25)19(24)17(11)22/h3-6,10H,7-9H2,1-2H3

InChI Key

WCTHNQBXUOLTIR-UHFFFAOYSA-N

Formula

C20H17F5O5

SMILES

CC(C)Oc1ccccc1OC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

432.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.11	kJ/mol	Joback Calculated Property
log10WS	-6.19		Relay (1.0) Calculated Property
logPoct/wat	4.598		Crippen Calculated Property
McVol	274.740	ml/mol	McGowan Calculated Property
Inp	[2409.00; 2409.00]
Inp	2409.00		NIST
Inp	2409.00		NIST
Tfus	356.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[419.31; 866.46]	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			1.07783e+02
Coefficient B			1.28114e+00
Coefficient C			-5.09360e-04
Coefficient D			-1.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.31	J/mol×K	273.00	Calculated Property
Cp,gas	496.69	J/mol×K	353.78	Calculated Property
Cp,gas	567.25	J/mol×K	434.56	Calculated Property
Cp,gas	630.93	J/mol×K	515.33	Calculated Property
Cp,gas	687.71	J/mol×K	596.11	Calculated Property
Cp,gas	737.53	J/mol×K	676.89	Calculated Property
Cp,gas	780.36	J/mol×K	757.67	Calculated Property
Cp,gas	816.15	J/mol×K	838.44	Calculated Property
Cp,gas	844.87	J/mol×K	919.22	Calculated Property
Cp,gas	866.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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