Chemical Properties of Dihydrocapsaicin, O-pentafluoropropionyl-

InChI

InChI=1S/C21H28F5NO4/c1-14(2)8-6-4-5-7-9-18(28)27-13-15-10-11-16(17(12-15)30-3)31-19(29)20(22,23)21(24,25)26/h10-12,14H,4-9,13H2,1-3H3,(H,27,28)

InChI Key

DJARFYKDJKEUKK-UHFFFAOYSA-N

Formula

C21H28F5NO4

SMILES

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

Molecular Weight¹

453.44

• 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).
• 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
ΔfG°	-1130.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1702.64	kJ/mol	Joback Calculated Property
ΔfusH°	51.13	kJ/mol	Joback Calculated Property
ΔvapH°	83.62	kJ/mol	Joback Calculated Property
log10WS	-7.09		Crippen Calculated Property
logPoct/wat	5.411		Crippen Calculated Property
McVol	316.700	ml/mol	McGowan Calculated Property
Pc	1105.94	kPa	Joback Calculated Property
Inp	[2186.50; 2186.50]
Inp	2186.50		NIST
Inp	2186.50		NIST
Tboil	908.72	K	Joback Calculated Property
Tc	1112.88	K	Joback Calculated Property
Tfus	567.66	K	Joback Calculated Property
Vc	1.248	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1033.22; 1103.25]	J/mol×K	[908.72; 1112.88]
Cp,gas	1033.22	J/mol×K	908.72	Joback Calculated Property
Cp,gas	1047.43	J/mol×K	942.75	Joback Calculated Property
Cp,gas	1060.54	J/mol×K	976.77	Joback Calculated Property
Cp,gas	1072.61	J/mol×K	1010.80	Joback Calculated Property
Cp,gas	1083.71	J/mol×K	1044.82	Joback Calculated Property
Cp,gas	1093.91	J/mol×K	1078.85	Joback Calculated Property
Cp,gas	1103.25	J/mol×K	1112.88	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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