Chemical Properties of Propane-1,3-diyl bis(2,3,4,5,6-pentafluorobenzoate)

InChI

InChI=1S/C17H6F10O4/c18-6-4(7(19)11(23)14(26)10(6)22)16(28)30-2-1-3-31-17(29)5-8(20)12(24)15(27)13(25)9(5)21/h1-3H2

InChI Key

WLUOMTVGHIINLA-UHFFFAOYSA-N

Formula

C17H6F10O4

SMILES

O=C(OCCCOC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

464.21

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2051.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.35	kJ/mol	Joback Calculated Property
IE	10.07	eV	Relay (1.0) Calculated Property
logPoct/wat	4.482		Crippen Calculated Property
McVol	235.450	ml/mol	McGowan Calculated Property
Inp	[1959.00; 1959.00]
Inp	1959.00		NIST
Inp	1959.00		NIST
Tboil	597.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[675.61; 718.79]	J/mol×K	[836.80; 1025.90]
Cp,gas	675.61	J/mol×K	836.80	Joback Calculated Property
Cp,gas	684.85	J/mol×K	868.32	Joback Calculated Property
Cp,gas	693.30	J/mol×K	899.83	Joback Calculated Property
Cp,gas	700.93	J/mol×K	931.35	Joback Calculated Property
Cp,gas	707.73	J/mol×K	962.86	Joback Calculated Property
Cp,gas	713.69	J/mol×K	994.38	Joback Calculated Property
Cp,gas	718.79	J/mol×K	1025.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propane-1,3-diyl bis(2,3,4,5,6-pentafluorobenzoate).

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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