Chemical Properties of Phenol, 4-octyl- (CAS 1806-26-4)

InChI

InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3

InChI Key

NTDQQZYCCIDJRK-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CCCCCCCCc1ccc(O)cc1

Molecular Weight¹

206.32

CAS

1806-26-4

Other Names

• 1-(p-Hydroxyphenyl)octane
• 4-Octylphenol
• 4-n-Octylphenol
• Phenol, p-octyl-
• p-Octylphenol

• 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	0.7718		Relay (1.0) Calculated Property
ΔfG°	24.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-254.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.84	kJ/mol	Joback Calculated Property
ΔvapH°	89.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	4.295		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2306.95	kPa	Joback Calculated Property
Inp	[1768.10; 1809.00]
Inp	Outlier 1809.00		NIST
Inp	1768.10		NIST
Inp	1772.30		NIST
Inp	1778.20		NIST
Inp	1784.00		NIST
Inp	1768.10		NIST
Tboil	587.41	K	Relay (1.0) Calculated Property
Tc	785.76	K	Relay (1.0) Calculated Property
Tfus	310.85	K	Relay (1.0) Calculated Property
Vc	0.703	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.11; 645.50]	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			-5.26630e+01
Coefficient B			1.40952e+00
Coefficient C			-1.02536e-03
Coefficient D			3.14000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.11	J/mol×K	273.00	Calculated Property
Cp,gas	331.56	J/mol×K	353.78	Calculated Property
Cp,gas	391.99	J/mol×K	434.56	Calculated Property
Cp,gas	444.38	J/mol×K	515.33	Calculated Property
Cp,gas	489.72	J/mol×K	596.11	Calculated Property
Cp,gas	529.01	J/mol×K	676.89	Calculated Property
Cp,gas	563.24	J/mol×K	757.67	Calculated Property
Cp,gas	593.40	J/mol×K	838.44	Calculated Property
Cp,gas	620.49	J/mol×K	919.22	Calculated Property
Cp,gas	645.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015682; 0.0000405]	Pa×s	[385.68; 582.33]	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			-1.72825e+01
Coefficient B			4.17488e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			385.68
Temperature range, max.			582.33
η	0.0015682	Pa×s	385.68	Calculated Property
η	0.0008777	Pa×s	407.53	Calculated Property
η	0.0005211	Pa×s	429.38	Calculated Property
η	0.0003254	Pa×s	451.23	Calculated Property
η	0.0002123	Pa×s	473.08	Calculated Property
η	0.0001438	Pa×s	494.93	Calculated Property
η	0.0001006	Pa×s	516.78	Calculated Property
η	0.0000725	Pa×s	538.63	Calculated Property
η	0.0000536	Pa×s	560.48	Calculated Property
η	0.0000405	Pa×s	582.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[412.00; 590.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43500e+01
Coefficient B			-4.51024e+03
Coefficient C			-9.12700e+01
Temperature range, min.			412.00
Temperature range, max.			590.27
Pvap	1.33	kPa	412.00	Calculated Property
Pvap	3.02	kPa	431.81	Calculated Property
Pvap	6.26	kPa	451.62	Calculated Property
Pvap	12.01	kPa	471.42	Calculated Property
Pvap	21.61	kPa	491.23	Calculated Property
Pvap	36.80	kPa	511.04	Calculated Property
Pvap	59.72	kPa	530.85	Calculated Property
Pvap	92.94	kPa	550.65	Calculated Property
Pvap	139.47	kPa	570.46	Calculated Property
Pvap	202.65	kPa	590.27	Calculated Property

Similar Compounds

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

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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