Chemical Properties of 6-Heneicosen-11-one, (Z)- (CAS 54844-65-4)

InChI

InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-20H2,1-2H3/b13-11-

InChI Key

YLNMHCDVFVPONQ-QBFSEMIESA-N

Formula

C21H40O

SMILES

CCCCCC=CCCCC(=O)CCCCCCCCCC

Molecular Weight¹

308.54

CAS

54844-65-4

Other Names

• (Z)-6-Heneicosen-11-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.8609		Relay (1.0) Calculated Property
ΔfG°	77.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-553.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.95	kJ/mol	Joback Calculated Property
ΔvapH°	102.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-7.10		Relay (1.0) Calculated Property
logPoct/wat	7.393		Crippen Calculated Property
McVol	304.020	ml/mol	McGowan Calculated Property
Pc	1027.94	kPa	Joback Calculated Property
Inp	[2258.00; 2258.00]
Inp	2258.00		NIST
Inp	2258.00		NIST
Tboil	600.71	K	Relay (1.0) Calculated Property
Tc	794.82	K	Relay (1.0) Calculated Property
Tfus	305.49	K	Relay (1.0) Calculated Property
Vc	1.149	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.89; 1061.18]	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			-2.30240e+01
Coefficient B			1.99084e+00
Coefficient C			-1.18370e-03
Coefficient D			2.77060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	437.89	J/mol×K	273.00	Calculated Property
Cp,gas	545.41	J/mol×K	353.78	Calculated Property
Cp,gas	641.31	J/mol×K	434.56	Calculated Property
Cp,gas	726.49	J/mol×K	515.33	Calculated Property
Cp,gas	801.80	J/mol×K	596.11	Calculated Property
Cp,gas	868.13	J/mol×K	676.89	Calculated Property
Cp,gas	926.36	J/mol×K	757.67	Calculated Property
Cp,gas	977.36	J/mol×K	838.44	Calculated Property
Cp,gas	1022.01	J/mol×K	919.22	Calculated Property
Cp,gas	1061.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021015; 0.0001240]	Pa×s	[371.28; 638.63]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.29261e+01
Coefficient B			2.51023e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			371.28
Temperature range, max.			638.63
η	0.0021015	Pa×s	371.28	Calculated Property
η	0.0012735	Pa×s	400.99	Calculated Property
η	0.0008270	Pa×s	430.69	Calculated Property
η	0.0005678	Pa×s	460.40	Calculated Property
η	0.0004080	Pa×s	490.10	Calculated Property
η	0.0003045	Pa×s	519.81	Calculated Property
η	0.0002345	Pa×s	549.51	Calculated Property
η	0.0001855	Pa×s	579.22	Calculated Property
η	0.0001502	Pa×s	608.92	Calculated Property
η	0.0001240	Pa×s	638.63	Calculated Property

Similar Compounds

Find more compounds similar to 6-Heneicosen-11-one, (Z)-.

Sources

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

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