Chemical Properties of Estriol, tris(trifluoroacetate)

InChI

InChI=1S/C24H21F9O6/c1-21-7-6-13-12-5-3-11(37-18(34)22(25,26)27)8-10(12)2-4-14(13)15(21)9-16(38-19(35)23(28,29)30)17(21)39-20(36)24(31,32)33/h3,5,8,13-17H,2,4,6-7,9H2,1H3

InChI Key

WWJXNFAAIBBBGC-UHFFFAOYSA-N

Formula

C24H21F9O6

SMILES

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

Molecular Weight¹

576.41

• 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°	52.14	kJ/mol	Joback Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-7.52		Relay (1.0) Calculated Property
logPoct/wat	5.569		Crippen Calculated Property
McVol	330.930	ml/mol	McGowan Calculated Property
Inp	[2343.20; 2362.00]
Inp	2343.20		NIST
Inp	2352.00		NIST
Inp	2362.00		NIST
Inp	2343.20		NIST
Tfus	400.26	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	[1199.91; 1320.00]	J/mol×K	[1012.76; 1239.90]
Cp,gas	1199.91	J/mol×K	1012.76	Joback Calculated Property
Cp,gas	1218.65	J/mol×K	1050.62	Joback Calculated Property
Cp,gas	1237.57	J/mol×K	1088.47	Joback Calculated Property
Cp,gas	1256.91	J/mol×K	1126.33	Joback Calculated Property
Cp,gas	1276.93	J/mol×K	1164.19	Joback Calculated Property
Cp,gas	1297.87	J/mol×K	1202.05	Joback Calculated Property
Cp,gas	1320.00	J/mol×K	1239.90	Joback Calculated Property

Similar Compounds

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

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.