Chemical Properties of Diglycolic acid, pentadecyl pentafluorobenzyl ester

InChI

InChI=1S/C26H37F5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-35-20(32)17-34-18-21(33)36-16-19-22(27)24(29)26(31)25(30)23(19)28/h2-18H2,1H3

InChI Key

IFVWJMFHJMDKKG-UHFFFAOYSA-N

Formula

C26H37F5O5

SMILES

CCCCCCCCCCCCCCCOC(=O)COCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

524.56

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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°	80.52	kJ/mol	Joback Calculated Property
ΔvapH°	126.03	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.66		Relay (1.0) Calculated Property
logPoct/wat	7.076		Crippen Calculated Property
McVol	383.040	ml/mol	McGowan Calculated Property
Inp	[3638.00; 3638.00]
Inp	3638.00		NIST
Inp	3638.00		NIST
Tboil	687.14	K	Relay (1.0) Calculated Property
Tfus	334.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1288.90; 1356.60]	J/mol×K	[981.27; 1218.49]
Cp,gas	1288.90	J/mol×K	981.27	Joback Calculated Property
Cp,gas	1305.51	J/mol×K	1020.81	Joback Calculated Property
Cp,gas	1319.95	J/mol×K	1060.34	Joback Calculated Property
Cp,gas	1332.27	J/mol×K	1099.88	Joback Calculated Property
Cp,gas	1342.46	J/mol×K	1139.42	Joback Calculated Property
Cp,gas	1350.57	J/mol×K	1178.96	Joback Calculated Property
Cp,gas	1356.60	J/mol×K	1218.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, pentadecyl 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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