Chemical Properties of Dihydrocapsaicin, O-trifluoroacetyl-

InChI

InChI=1S/C20H28F3NO4/c1-14(2)8-6-4-5-7-9-18(25)24-13-15-10-11-16(17(12-15)27-3)28-19(26)20(21,22)23/h10-12,14H,4-9,13H2,1-3H3,(H,24,25)

InChI Key

RXVYELDAQCJVFS-UHFFFAOYSA-N

Formula

C20H28F3NO4

SMILES

COc1cc(CNC(=O)CCCCCCC(C)C)ccc1OC(=O)C(F)(F)F

Molecular Weight¹

403.44

• 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	0.9650		Relay (1.0) Calculated Property
ΔfG°	-751.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1403.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.79	kJ/mol	Joback Calculated Property
ΔvapH°	107.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.776		Crippen Calculated Property
McVol	299.070	ml/mol	McGowan Calculated Property
Pc	1239.83	kPa	Joback Calculated Property
Inp	[2193.30; 2193.30]
Inp	2193.30		NIST
Inp	2193.30		NIST
Tboil	638.58	K	Relay (1.0) Calculated Property
Tc	826.12	K	Relay (1.0) Calculated Property
Tfus	358.82	K	Relay (1.0) Calculated Property
Vc	1.081	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[959.02; 1029.32]	J/mol×K	[890.53; 1092.96]
Cp,gas	959.02	J/mol×K	890.53	Joback Calculated Property
Cp,gas	973.41	J/mol×K	924.27	Joback Calculated Property
Cp,gas	986.68	J/mol×K	958.01	Joback Calculated Property
Cp,gas	998.87	J/mol×K	991.74	Joback Calculated Property
Cp,gas	1010.01	J/mol×K	1025.48	Joback Calculated Property
Cp,gas	1020.15	J/mol×K	1059.22	Joback Calculated Property
Cp,gas	1029.32	J/mol×K	1092.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydrocapsaicin, O-trifluoroacetyl-.

Sources

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

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