Chemical Properties of Estriol, tris(pentafluoropropionate)

InChI

InChI=1S/C27H21F15O6/c1-21-7-6-13-12-5-3-11(46-18(43)22(28,29)25(34,35)36)8-10(12)2-4-14(13)15(21)9-16(47-19(44)23(30,31)26(37,38)39)17(21)48-20(45)24(32,33)27(40,41)42/h3,5,8,13-17H,2,4,6-7,9H2,1H3

InChI Key

WNINQNBIZUYHQT-UHFFFAOYSA-N

Formula

C27H21F15O6

SMILES

CC12CCC3c4ccc(OC(=O)C(F)(F)C(F)(F)F)cc4CCC3C1CC(OC(=O)C(F)(F)C(F)(F)F)C2OC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

726.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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°	56.15	kJ/mol	Joback Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-10.07		Relay (1.0) Calculated Property
logPoct/wat	7.474		Crippen Calculated Property
McVol	383.820	ml/mol	McGowan Calculated Property
Inp	[2328.90; 2328.90]
Inp	2328.90		NIST
Inp	2328.90		NIST
Tfus	404.78	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 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	[1431.31; 1600.40]	J/mol×K	[1067.33; 1318.48]
Cp,gas	1431.31	J/mol×K	1067.33	Joback Calculated Property
Cp,gas	1454.72	J/mol×K	1109.19	Joback Calculated Property
Cp,gas	1479.42	J/mol×K	1151.05	Joback Calculated Property
Cp,gas	1505.87	J/mol×K	1192.91	Joback Calculated Property
Cp,gas	1534.53	J/mol×K	1234.77	Joback Calculated Property
Cp,gas	1565.89	J/mol×K	1276.62	Joback Calculated Property
Cp,gas	1600.40	J/mol×K	1318.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Estriol, tris(pentafluoropropionate).

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.