Chemical Properties of Diglycolic acid, pentafluorobenzyl pentyl ester

InChI

InChI=1S/C16H17F5O5/c1-2-3-4-5-25-10(22)7-24-8-11(23)26-6-9-12(17)14(19)16(21)15(20)13(9)18/h2-8H2,1H3

InChI Key

TYHBEPFLIRRVHS-UHFFFAOYSA-N

Formula

C16H17F5O5

SMILES

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

Molecular Weight¹

384.30

• 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°	54.62	kJ/mol	Joback Calculated Property
ΔvapH°	87.86	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.53		Relay (1.0) Calculated Property
logPoct/wat	3.175		Crippen Calculated Property
McVol	242.140	ml/mol	McGowan Calculated Property
Pc	1341.76	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	598.18	K	Relay (1.0) Calculated Property
Tc	767.79	K	Relay (1.0) Calculated Property
Tfus	303.87	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.89; 764.18]	J/mol×K	[752.47; 928.84]
Cp,gas	700.89	J/mol×K	752.47	Joback Calculated Property
Cp,gas	713.49	J/mol×K	781.87	Joback Calculated Property
Cp,gas	725.28	J/mol×K	811.26	Joback Calculated Property
Cp,gas	736.25	J/mol×K	840.66	Joback Calculated Property
Cp,gas	746.40	J/mol×K	870.05	Joback Calculated Property
Cp,gas	755.71	J/mol×K	899.45	Joback Calculated Property
Cp,gas	764.18	J/mol×K	928.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, pentafluorobenzyl pentyl 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.
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