Chemical Properties of cis-11-Eicosenoic acid (CAS 5561-99-9)

InChI

InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-

InChI Key

BITHHVVYSMSWAG-KTKRTIGZSA-N

Formula

C20H38O2

SMILES

CCCCCCCC/C=C\CCCCCCCCCC(=O)O

Molecular Weight¹

310.52

CAS

5561-99-9

Other Names

• (11Z)-eicosenoic acid
• (Z)-11-Eicosenic acid
• (Z)-icos-11-enoic acid
• cis-11-eicosenoic acid (gondoic acid)

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	1.0990		Relay (1.0) Calculated Property
ΔfG°	-146.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-729.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.90	kJ/mol	Joback Calculated Property
ΔvapH°	134.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	6.889		Crippen Calculated Property
McVol	295.800	ml/mol	McGowan Calculated Property
Pc	1113.34	kPa	Joback Calculated Property
Inp	[2356.90; 2356.90]
Inp	2356.90		NIST
Inp	2356.90		NIST
Tboil	612.40	K	Relay (1.0) Calculated Property
Tc	825.62	K	Relay (1.0) Calculated Property
Tfus	306.02	K	Relay (1.0) Calculated Property
Vc	1.115	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.38; 1031.35]	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			-2.48740e+01
Coefficient B			1.97462e+00
Coefficient C			-1.22060e-03
Coefficient D			3.02200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	429.38	J/mol×K	273.00	Calculated Property
Cp,gas	534.31	J/mol×K	353.78	Calculated Property
Cp,gas	627.51	J/mol×K	434.56	Calculated Property
Cp,gas	709.92	J/mol×K	515.33	Calculated Property
Cp,gas	782.49	J/mol×K	596.11	Calculated Property
Cp,gas	846.19	J/mol×K	676.89	Calculated Property
Cp,gas	901.97	J/mol×K	757.67	Calculated Property
Cp,gas	950.79	J/mol×K	838.44	Calculated Property
Cp,gas	993.59	J/mol×K	919.22	Calculated Property
Cp,gas	1031.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007579; 0.0001012]	Pa×s	[470.68; 694.66]	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			-1.34287e+01
Coefficient B			2.93882e+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.			470.68
Temperature range, max.			694.66
η	0.0007579	Pa×s	470.68	Calculated Property
η	0.0005539	Pa×s	495.57	Calculated Property
η	0.0004171	Pa×s	520.45	Calculated Property
η	0.0003224	Pa×s	545.34	Calculated Property
η	0.0002548	Pa×s	570.23	Calculated Property
η	0.0002054	Pa×s	595.11	Calculated Property
η	0.0001685	Pa×s	620.00	Calculated Property
η	0.0001403	Pa×s	644.89	Calculated Property
η	0.0001185	Pa×s	669.77	Calculated Property
η	0.0001012	Pa×s	694.66	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[536.52; 730.07]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57636e+01
Coefficient B			-6.23178e+03
Coefficient C			-1.33846e+02
Temperature range, min.			536.52
Temperature range, max.			730.07
Pvap	1.33	kPa	536.52	Calculated Property
Pvap	2.92	kPa	558.03	Calculated Property
Pvap	5.94	kPa	579.53	Calculated Property
Pvap	11.30	kPa	601.04	Calculated Property
Pvap	20.32	kPa	622.54	Calculated Property
Pvap	34.79	kPa	644.05	Calculated Property
Pvap	57.01	kPa	665.55	Calculated Property
Pvap	89.92	kPa	687.06	Calculated Property
Pvap	137.06	kPa	708.56	Calculated Property
Pvap	202.65	kPa	730.07	Calculated Property

Similar Compounds

Find more compounds similar to cis-11-Eicosenoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vaporization, Sublimation and Fusion Enthalpies of Some Saturated and Unsaturated Long Chain Fatty Acids by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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