Chemical Properties of Phenol, 4-hexyl- (CAS 2446-69-7)

InChI

InChI=1S/C12H18O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10,13H,2-6H2,1H3

InChI Key

SZWBRVPZWJYIHI-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CCCCCCc1ccc(O)cc1

Molecular Weight¹

178.27

CAS

2446-69-7

Other Names

• 4-Hexylphenol
• 4-n-Hexylphenol
• p-Hexylphenol
• p-n-Hexylphenol

• 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).
• 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	0.6919		Relay (1.0) Calculated Property
ΔfG°	7.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-213.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.66	kJ/mol	Joback Calculated Property
ΔvapH°	79.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-3.78		Relay (1.0) Calculated Property
logPoct/wat	3.515		Crippen Calculated Property
McVol	162.050	ml/mol	McGowan Calculated Property
Pc	2799.47	kPa	Joback Calculated Property
Inp	[1561.60; 1610.00]
Inp	1610.00		NIST
Inp	1609.00		NIST
Inp	1561.60		NIST
Inp	1565.00		NIST
Inp	1568.80		NIST
Inp	1610.00		NIST
Inp	1561.60		NIST
Tboil	559.93	K	Relay (1.0) Calculated Property
Tc	761.38	K	Relay (1.0) Calculated Property
Tfus	302.15 ± 1.00	K	NIST
Vc	0.588	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.68; 542.31]	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			-5.08450e+01
Coefficient B			1.21952e+00
Coefficient C			-9.16560e-04
Coefficient D			2.90200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.68	J/mol×K	273.00	Calculated Property
Cp,gas	278.73	J/mol×K	353.78	Calculated Property
Cp,gas	329.84	J/mol×K	434.56	Calculated Property
Cp,gas	373.92	J/mol×K	515.33	Calculated Property
Cp,gas	411.90	J/mol×K	596.11	Calculated Property
Cp,gas	444.69	J/mol×K	676.89	Calculated Property
Cp,gas	473.21	J/mol×K	757.67	Calculated Property
Cp,gas	498.37	J/mol×K	838.44	Calculated Property
Cp,gas	521.10	J/mol×K	919.22	Calculated Property
Cp,gas	542.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0215647; 0.0000530]	Pa×s	[302.15; 554.85]	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			-1.70307e+01
Coefficient B			3.98656e+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.			302.15
Temperature range, max.			554.85
η	0.0215647	Pa×s	302.15	Calculated Property
η	0.0070234	Pa×s	330.23	Calculated Property
η	0.0027271	Pa×s	358.31	Calculated Property
η	0.0012150	Pa×s	386.38	Calculated Property
η	0.0006040	Pa×s	414.46	Calculated Property
η	0.0003281	Pa×s	442.54	Calculated Property
η	0.0001917	Pa×s	470.62	Calculated Property
η	0.0001190	Pa×s	498.69	Calculated Property
η	0.0000777	Pa×s	526.77	Calculated Property
η	0.0000530	Pa×s	554.85	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-hexyl-.

Sources

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

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