Chemical Properties of Eicosanoic acid (CAS 506-30-9)

InChI

InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

InChI Key

VKOBVWXKNCXXDE-UHFFFAOYSA-N

Formula

C20H40O2

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O

Molecular Weight¹

312.53

CAS

506-30-9

Other Names

• ARACHIC ACID
• Arachidic acid
• Arachidic acid (synthetic)
• Icosanoic acid
• N-EICOSANOIC ACID

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_subH : Enthalpy of sublimation 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_triple : Triple Point 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1807		Relay (1.0) Calculated Property
ΔcH°liquid	-12574.20 ± 1.50	kJ/mol	NIST
ΔfG°	-148.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-816.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.24	kJ/mol	Joback Calculated Property
ΔvapH°	134.70	kJ/mol	Relay (1.0) Calculated Property
IE	10.11	eV	Relay (1.0) Calculated Property
log10WS	-7.00		Relay (1.0) Calculated Property
logPoct/wat	7.113		Crippen Calculated Property
McVol	300.100	ml/mol	McGowan Calculated Property
Pc	1123.81	kPa	Joback Calculated Property
Ptriple	2.00e-06 ± 1.07e-06	kPa	NIST
Inp	[377.80; 2380.00]
Inp	2365.30		NIST
Inp	2380.00		NIST
Inp	2359.00		NIST
Inp	2359.00		NIST
Inp	2359.00		NIST
Inp	2380.00		NIST
Inp	2366.00		NIST
Inp	Outlier 377.80		NIST
Inp	2380.00		NIST
Inp	Outlier 377.80		NIST
Inp	2365.30		NIST
Tboil	615.18	K	Relay (1.0) Calculated Property
Tc	814.90	K	Relay (1.0) Calculated Property
Tfus	348.40 ± 0.05	K	NIST
Ttriple	[347.25; 348.23]	K
Ttriple	348.23 ± 0.02	K	NIST
Ttriple	347.25 ± 0.60	K	NIST
Vc	1.174	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[955.05; 1051.45]	J/mol×K	[803.05; 983.47]
Cp,gas	955.05	J/mol×K	803.05	Joback Calculated Property
Cp,gas	973.29	J/mol×K	833.12	Joback Calculated Property
Cp,gas	990.60	J/mol×K	863.19	Joback Calculated Property
Cp,gas	1007.04	J/mol×K	893.26	Joback Calculated Property
Cp,gas	1022.64	J/mol×K	923.33	Joback Calculated Property
Cp,gas	1037.42	J/mol×K	953.40	Joback Calculated Property
Cp,gas	1051.45	J/mol×K	983.47	Joback Calculated Property
Cp,solid	545.14	J/mol×K	298.15	NIST
η	[0.0000169; 0.0016627]	Pa×s	[425.91; 803.05]
η	0.0016627	Pa×s	425.91	Joback Calculated Property
η	0.0004736	Pa×s	488.77	Joback Calculated Property
η	0.0001796	Pa×s	551.62	Joback Calculated Property
η	0.0000830	Pa×s	614.48	Joback Calculated Property
η	0.0000443	Pa×s	677.34	Joback Calculated Property
η	0.0000263	Pa×s	740.19	Joback Calculated Property
η	0.0000169	Pa×s	803.05	Joback Calculated Property
ΔfusH	[69.20; 71.60]	kJ/mol	[347.80; 348.20]
ΔfusH	71.60	kJ/mol	347.80	NIST
ΔfusH	69.20	kJ/mol	348.20	NIST
ΔfusH	69.20	kJ/mol	348.20	NIST
ΔsubH	[148.40; 200.00]	kJ/mol	[314.00; 341.50]
ΔsubH	148.40	kJ/mol	314.00	NIST
ΔsubH	200.00 ± 7.50	kJ/mol	336.80	NIST
ΔsubH	199.60 ± 7.50	kJ/mol	341.50	NIST
ΔvapH	[114.50; 143.70]	kJ/mol	[298.00; 573.50]
ΔvapH	143.70	kJ/mol	298.00	Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
ΔvapH	125.50	kJ/mol	392.00	NIST
ΔvapH	114.50	kJ/mol	573.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[538.92; 692.23]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.85579e+01
Coefficient B			-7.38557e+03
Coefficient C			-1.34680e+02
Temperature range, min.			538.92
Temperature range, max.			692.23
Pvap	1.33	kPa	538.92	Calculated Property
Pvap	2.79	kPa	555.95	Calculated Property
Pvap	5.52	kPa	572.99	Calculated Property
Pvap	10.36	kPa	590.02	Calculated Property
Pvap	18.60	kPa	607.06	Calculated Property
Pvap	32.05	kPa	624.09	Calculated Property
Pvap	53.24	kPa	641.13	Calculated Property
Pvap	85.57	kPa	658.16	Calculated Property
Pvap	133.48	kPa	675.20	Calculated Property
Pvap	202.63	kPa	692.23	Calculated Property

Similar Compounds

Find more compounds similar to Eicosanoic acid.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.