Chemical Properties of Dihydrocapsaicin, N-methyl-, methyl ether

InChI

InChI=1S/C20H33NO3/c1-16(2)10-8-6-7-9-11-20(22)21(3)15-17-12-13-18(23-4)19(14-17)24-5/h12-14,16H,6-11,15H2,1-5H3

InChI Key

JJWOOWFCJRLRJG-UHFFFAOYSA-N

Formula

C20H33NO3

SMILES

COc1ccc(CN(C)C(=O)CCCCCCC(C)C)cc1OC

Molecular Weight¹

335.48

• 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	0.9289		Relay (1.0) Calculated Property
ΔfG°	-19.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-591.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.29	kJ/mol	Joback Calculated Property
ΔvapH°	103.69	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	4.659		Crippen Calculated Property
McVol	292.190	ml/mol	McGowan Calculated Property
Pc	1273.69	kPa	Joback Calculated Property
Inp	[2619.30; 2619.30]
Inp	2619.30		NIST
Inp	2619.30		NIST
Tboil	648.48	K	Relay (1.0) Calculated Property
Tc	850.74	K	Relay (1.0) Calculated Property
Tfus	351.55	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	[899.52; 990.69]	J/mol×K	[804.35; 998.83]
Cp,gas	899.52	J/mol×K	804.35	Joback Calculated Property
Cp,gas	917.43	J/mol×K	836.76	Joback Calculated Property
Cp,gas	934.23	J/mol×K	869.18	Joback Calculated Property
Cp,gas	949.93	J/mol×K	901.59	Joback Calculated Property
Cp,gas	964.55	J/mol×K	934.00	Joback Calculated Property
Cp,gas	978.13	J/mol×K	966.42	Joback Calculated Property
Cp,gas	990.69	J/mol×K	998.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydrocapsaicin, N-methyl-, methyl ether.

Sources

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

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