Chemical Properties of Coniferyl alcohol, bis(trifluoroacetate)

InChI

InChI=1S/C14H10F6O5/c1-23-10-7-8(3-2-6-24-11(21)13(15,16)17)4-5-9(10)25-12(22)14(18,19)20/h2-5,7H,6H2,1H3/b3-2+

InChI Key

YFJAKLUPKYORII-NSCUHMNNSA-N

Formula

C14H10F6O5

SMILES

COc1cc(C=CCOC(=O)C(F)(F)F)ccc1OC(=O)C(F)(F)F

Molecular Weight¹

372.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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
ΔfusH°	39.06	kJ/mol	Joback Calculated Property
logPoct/wat	3.282		Crippen Calculated Property
McVol	211.430	ml/mol	McGowan Calculated Property
Inp	[1614.00; 1614.00]
Inp	1614.00		NIST
Inp	1614.00		NIST
Tboil	546.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy, 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	[586.62; 642.52]	J/mol×K	[688.74; 871.63]
Cp,gas	586.62	J/mol×K	688.74	Joback Calculated Property
Cp,gas	597.95	J/mol×K	719.22	Joback Calculated Property
Cp,gas	608.44	J/mol×K	749.70	Joback Calculated Property
Cp,gas	618.11	J/mol×K	780.19	Joback Calculated Property
Cp,gas	626.99	J/mol×K	810.67	Joback Calculated Property
Cp,gas	635.11	J/mol×K	841.15	Joback Calculated Property
Cp,gas	642.52	J/mol×K	871.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Coniferyl alcohol, bis(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.
These property values are available through the Cheméo API. A free account gives you an access key.