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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6926		Relay (1.0) Calculated Property
ΔfG°	-1495.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1904.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.89	kJ/mol	Joback Calculated Property
ΔvapH°	86.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	3.282		Crippen Calculated Property
McVol	211.430	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[1614.00; 1614.00]
Inp	1614.00		NIST
Inp	1614.00		NIST
Tboil	546.46	K	Relay (1.0) Calculated Property
Tc	722.17	K	Relay (1.0) Calculated Property
Tfus	355.99	K	Relay (1.0) Calculated Property
Vc	0.764	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.77; 648.00]	J/mol×K	[724.68; 912.27]
Cp,gas	593.77	J/mol×K	724.68	Joback Calculated Property
Cp,gas	604.64	J/mol×K	755.95	Joback Calculated Property
Cp,gas	614.74	J/mol×K	787.21	Joback Calculated Property
Cp,gas	624.09	J/mol×K	818.48	Joback Calculated Property
Cp,gas	632.73	J/mol×K	849.74	Joback Calculated Property
Cp,gas	640.69	J/mol×K	881.01	Joback Calculated Property
Cp,gas	648.00	J/mol×K	912.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Coniferyl alcohol, bis(trifluoroacetate).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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