Chemical Properties of Heneicosanoic acid (CAS 2363-71-5)

InChI

InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)

InChI Key

CKDDRHZIAZRDBW-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)O

Molecular Weight¹

326.56

CAS

2363-71-5

Other Names

• henicosanoic acid
• n-Heneicosanoic 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1018.70; 1119.02]	J/mol×K	[825.59; 1011.88]
Cp,gas	1018.70	J/mol×K	825.59	Joback Calculated Property
Cp,gas	1037.70	J/mol×K	856.64	Joback Calculated Property
Cp,gas	1055.72	J/mol×K	887.69	Joback Calculated Property
Cp,gas	1072.82	J/mol×K	918.74	Joback Calculated Property
Cp,gas	1089.03	J/mol×K	949.79	Joback Calculated Property
Cp,gas	1104.42	J/mol×K	980.83	Joback Calculated Property
Cp,gas	1119.02	J/mol×K	1011.88	Joback Calculated Property
η	[0.0000561; 0.0007354]	Pa×s	[487.03; 825.59]
η	0.0007354	Pa×s	487.03	Joback Calculated Property
η	0.0003833	Pa×s	543.46	Joback Calculated Property
η	0.0002258	Pa×s	599.88	Joback Calculated Property
η	0.0001457	Pa×s	656.31	Joback Calculated Property
η	0.0001008	Pa×s	712.74	Joback Calculated Property
η	0.0000736	Pa×s	769.16	Joback Calculated Property
η	0.0000561	Pa×s	825.59	Joback Calculated Property
ΔfusH	63.00	kJ/mol	346.70	NIST
ΔvapH	149.20	kJ/mol	298.00	Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[548.76; 702.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.87163e+01
Coefficient B			-7.56794e+03
Coefficient C			-1.38099e+02
Temperature range, min.			548.76
Temperature range, max.			702.67
Pvap	1.33	kPa	548.76	Calculated Property
Pvap	2.79	kPa	565.86	Calculated Property
Pvap	5.50	kPa	582.96	Calculated Property
Pvap	10.32	kPa	600.06	Calculated Property
Pvap	18.52	kPa	617.16	Calculated Property
Pvap	31.93	kPa	634.27	Calculated Property
Pvap	53.07	kPa	651.37	Calculated Property
Pvap	85.38	kPa	668.47	Calculated Property
Pvap	133.33	kPa	685.57	Calculated Property
Pvap	202.66	kPa	702.67	Calculated Property

Similar Compounds

Find more compounds similar to Heneicosanoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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