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

• 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).
• 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	1.0361		Relay (1.0) Calculated Property
ΔfG°	-245.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-769.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.00	kJ/mol	Joback Calculated Property
ΔvapH°	116.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	6.188		Crippen Calculated Property
McVol	271.920	ml/mol	McGowan Calculated Property
Pc	1232.01	kPa	Joback Calculated Property
Inp	[1979.00; 1979.00]
Inp	1979.00		NIST
Inp	1979.00		NIST
Tboil	588.84	K	Relay (1.0) Calculated Property
Tc	801.89	K	Relay (1.0) Calculated Property
Tfus	301.70	K	Relay (1.0) Calculated Property
Vc	1.033	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[838.51; 932.41]	J/mol×K	[756.51; 936.35]
Cp,gas	838.51	J/mol×K	756.51	Joback Calculated Property
Cp,gas	856.22	J/mol×K	786.48	Joback Calculated Property
Cp,gas	873.06	J/mol×K	816.46	Joback Calculated Property
Cp,gas	889.07	J/mol×K	846.43	Joback Calculated Property
Cp,gas	904.27	J/mol×K	876.41	Joback Calculated Property
Cp,gas	918.70	J/mol×K	906.38	Joback Calculated Property
Cp,gas	932.41	J/mol×K	936.35	Joback Calculated Property
η	[0.0000788; 0.0011717]	Pa×s	[438.22; 756.51]
η	0.0011717	Pa×s	438.22	Joback Calculated Property
η	0.0005860	Pa×s	491.27	Joback Calculated Property
η	0.0003354	Pa×s	544.32	Joback Calculated Property
η	0.0002120	Pa×s	597.37	Joback Calculated Property
η	0.0001444	Pa×s	650.41	Joback Calculated Property
η	0.0001042	Pa×s	703.46	Joback Calculated Property
η	0.0000788	Pa×s	756.51	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[505.72; 674.26]	The Yaws Handbook of Vapor Pressure
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
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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