Chemical Properties of Dihydrocapsaicin, O-acetyl-

InChI

InChI=1S/C20H31NO4/c1-15(2)9-7-5-6-8-10-20(23)21-14-17-11-12-18(25-16(3)22)19(13-17)24-4/h11-13,15H,5-10,14H2,1-4H3,(H,21,23)

InChI Key

FABOGEJIOHNBJZ-UHFFFAOYSA-N

Formula

C20H31NO4

SMILES

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

Molecular Weight¹

349.46

• 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°	-170.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.95	kJ/mol	Joback Calculated Property
ΔfusH°	47.97	kJ/mol	Joback Calculated Property
ΔvapH°	88.07	kJ/mol	Joback Calculated Property
log10WS	-5.69		Crippen Calculated Property
logPoct/wat	4.233		Crippen Calculated Property
McVol	293.760	ml/mol	McGowan Calculated Property
Pc	1347.68	kPa	Joback Calculated Property
Inp	[2736.50; 2736.50]
Inp	2736.50		NIST
Inp	2736.50		NIST
Tboil	895.95	K	Joback Calculated Property
Tc	1103.67	K	Joback Calculated Property
Tfus	548.60	K	Joback Calculated Property
Vc	1.125	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[936.81; 1010.30]	J/mol×K	[895.95; 1103.67]
Cp,gas	936.81	J/mol×K	895.95	Joback Calculated Property
Cp,gas	952.08	J/mol×K	930.57	Joback Calculated Property
Cp,gas	966.12	J/mol×K	965.19	Joback Calculated Property
Cp,gas	978.94	J/mol×K	999.81	Joback Calculated Property
Cp,gas	990.56	J/mol×K	1034.43	Joback Calculated Property
Cp,gas	1001.01	J/mol×K	1069.05	Joback Calculated Property
Cp,gas	1010.30	J/mol×K	1103.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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