Chemical Properties of 4-(2-ethylhexyl)phenol

InChI

InChI=1S/C14H22O/c1-3-5-6-12(4-2)11-13-7-9-14(15)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3

InChI Key

OKUMHINSMZOUIZ-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CCCCC(CC)Cc1ccc(O)cc1

Molecular Weight¹

206.33

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.6987		Relay (1.0) Calculated Property
ΔfH°gas	-261.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.32	kJ/mol	Joback Calculated Property
ΔvapH°	85.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	4.151		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2324.78	kPa	Joback Calculated Property
Inp	[1650.00; 1650.00]
Inp	1650.00		NIST
Inp	1650.00		NIST
Tboil	581.84	K	Relay (1.0) Calculated Property
Tc	779.04	K	Relay (1.0) Calculated Property
Tfus	291.51	K	Relay (1.0) Calculated Property
Vc	0.657	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.79; 646.03]	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			-5.43450e+01
Coefficient B			1.41544e+00
Coefficient C			-1.02856e-03
Coefficient D			3.13500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.79	J/mol×K	273.00	Calculated Property
Cp,gas	331.55	J/mol×K	353.78	Calculated Property
Cp,gas	392.24	J/mol×K	434.56	Calculated Property
Cp,gas	444.83	J/mol×K	515.33	Calculated Property
Cp,gas	490.33	J/mol×K	596.11	Calculated Property
Cp,gas	529.71	J/mol×K	676.89	Calculated Property
Cp,gas	563.99	J/mol×K	757.67	Calculated Property
Cp,gas	594.14	J/mol×K	838.44	Calculated Property
Cp,gas	621.16	J/mol×K	919.22	Calculated Property
Cp,gas	646.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023538; 0.0000367]	Pa×s	[370.68; 584.81]	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			-1.74165e+01
Coefficient B			4.21270e+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.			370.68
Temperature range, max.			584.81
η	0.0023538	Pa×s	370.68	Calculated Property
η	0.0011860	Pa×s	394.47	Calculated Property
η	0.0006460	Pa×s	418.26	Calculated Property
η	0.0003757	Pa×s	442.06	Calculated Property
η	0.0002309	Pa×s	465.85	Calculated Property
η	0.0001488	Pa×s	489.64	Calculated Property
η	0.0000999	Pa×s	513.43	Calculated Property
η	0.0000695	Pa×s	537.22	Calculated Property
η	0.0000498	Pa×s	561.01	Calculated Property
η	0.0000367	Pa×s	584.81	Calculated Property

Similar Compounds

Find more compounds similar to 4-(2-ethylhexyl)phenol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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