Chemical Properties of 2-Ethylhexadecanoic acid (CAS 54240-85-6)

InChI

InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(4-2)18(19)20/h17H,3-16H2,1-2H3,(H,19,20)

InChI Key

YXLHBXPGRDAQSH-UHFFFAOYSA-N

Formula

C18H36O2

SMILES

CCCCCCCCCCCCCCC(CC)C(=O)O

Molecular Weight¹

284.48

CAS

54240-85-6

• 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).
• 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
ΔfG°	-167.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-684.94	kJ/mol	Joback Calculated Property
ΔfusH°	44.54	kJ/mol	Joback Calculated Property
ΔvapH°	78.70	kJ/mol	Joback Calculated Property
log10WS	-6.21		Crippen Calculated Property
logPoct/wat	6.188		Crippen Calculated Property
McVol	271.920	ml/mol	McGowan Calculated Property
Pc	1291.14	kPa	Joback Calculated Property
Inp	[1979.00; 1979.00]
Inp	1979.00		NIST
Inp	1979.00		NIST
Tboil	756.85	K	Joback Calculated Property
Tc	930.87	K	Joback Calculated Property
Tfus	388.37	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[835.93; 927.10]	J/mol×K	[756.85; 930.87]
T(K) Ideal gas heat capacity (J/mol×K) 840 860 880 900 920 800 850 900
Cp,gas	835.93	J/mol×K	756.85	Joback Calculated Property
Cp,gas	853.09	J/mol×K	785.85	Joback Calculated Property
Cp,gas	869.43	J/mol×K	814.86	Joback Calculated Property
Cp,gas	884.97	J/mol×K	843.86	Joback Calculated Property
Cp,gas	899.74	J/mol×K	872.86	Joback Calculated Property
Cp,gas	913.77	J/mol×K	901.86	Joback Calculated Property
Cp,gas	927.10	J/mol×K	930.87	Joback Calculated Property
η	[0.0000226; 0.0034379]	Pa×s	[388.37; 756.85]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 400 500 600 700
η	0.0034379	Pa×s	388.37	Joback Calculated Property
η	0.0008398	Pa×s	449.78	Joback Calculated Property
η	0.0002878	Pa×s	511.20	Joback Calculated Property
η	0.0001241	Pa×s	572.61	Joback Calculated Property
η	0.0000630	Pa×s	634.02	Joback Calculated Property
η	0.0000360	Pa×s	695.44	Joback Calculated Property
η	0.0000226	Pa×s	756.85	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[505.72; 674.26]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.67152e+01
Coefficient B			-6.28483e+03
Coefficient C			-1.23143e+02
Temperature range, min.			505.72
Temperature range, max.			674.26
T(K) Vapor pressure (kPa) 0 50 100 150 200 550 600 650
Pvap	1.33	kPa	505.72	Calculated Property
Pvap	2.87	kPa	524.45	Calculated Property
Pvap	5.77	kPa	543.17	Calculated Property
Pvap	10.92	kPa	561.90	Calculated Property
Pvap	19.64	kPa	580.63	Calculated Property
Pvap	33.70	kPa	599.35	Calculated Property
Pvap	55.53	kPa	618.08	Calculated Property
Pvap	88.23	kPa	636.81	Calculated Property
Pvap	135.68	kPa	655.53	Calculated Property
Pvap	202.63	kPa	674.26	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylhexadecanoic acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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