Chemical Properties of 13-Docosenamide, (Z)- (CAS 112-84-5)

InChI

InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-

InChI Key

UAUDZVJPLUQNMU-KTKRTIGZSA-N

Formula

C22H43NO

SMILES

CCCCCCCCC=CCCCCCCCCCCCC(N)=O

Molecular Weight¹

337.58

CAS

112-84-5

Other Names

• Erucylamide
• (Z)-13-Docosenamide
• 13-Docosenamide, cis-
• Armid E
• cis-13-Docosenamide
• cis-13-Docosenoamide
• Crodamide E
• Erucamide
• Erucic acid amide
• Kemamide E
• Petrac eramide
• Polydis TR 131
• Unislip 1753
• Euracamide
• Crodamide ER
• (Z)-docos-13-enamide

• 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	1.0666		Relay (1.0) Calculated Property
ΔfG°	152.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-644.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.73	kJ/mol	Joback Calculated Property
ΔvapH°	124.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-7.25		Relay (1.0) Calculated Property
logPoct/wat	7.070		Crippen Calculated Property
McVol	328.090	ml/mol	McGowan Calculated Property
Pc	1002.71	kPa	Joback Calculated Property
Inp	[2625.00; 2625.00]
Inp	2625.00		NIST
Inp	2625.00		NIST
Inp	2625.00		NIST
Inp	2625.00		NIST
Inp	2625.00		NIST
Inp	2625.00		NIST
Inp	2625.00		NIST
Tboil	630.38	K	Relay (1.0) Calculated Property
Tc	839.21	K	Relay (1.0) Calculated Property
Tfus	325.17	K	Relay (1.0) Calculated Property
Vc	1.252	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[479.48; 1148.74]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.74420e+01
Coefficient B			2.14772e+00
Coefficient C			-1.28150e-03
Coefficient D			2.99960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	479.48	J/mol×K	273.00	Calculated Property
Cp,gas	595.26	J/mol×K	353.78	Calculated Property
Cp,gas	698.48	J/mol×K	434.56	Calculated Property
Cp,gas	790.08	J/mol×K	515.33	Calculated Property
Cp,gas	871.00	J/mol×K	596.11	Calculated Property
Cp,gas	942.20	J/mol×K	676.89	Calculated Property
Cp,gas	1004.62	J/mol×K	757.67	Calculated Property
Cp,gas	1059.22	J/mol×K	838.44	Calculated Property
Cp,gas	1106.94	J/mol×K	919.22	Calculated Property
Cp,gas	1148.74	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 13-Docosenamide, (Z)-.

Sources

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

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