Chemical Properties of Phenol, 4-pentyl- (CAS 14938-35-3)

InChI

InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3

InChI Key

ZNPSUQQXTRRSBM-UHFFFAOYSA-N

Formula

C11H16O

SMILES

CCCCCc1ccc(O)cc1

Molecular Weight¹

164.24

CAS

14938-35-3

Other Names

• 4-Amylphenol
• 4-Pentylphenol
• 4-n-Amylphenol
• 4-n-Pentylphenol
• Amyl p-hydroxybenzene
• Phenol, p-pentyl-
• p-Amylphenol
• p-Hydroxy-n-pentylbenzene
• p-Pentylphenol
• p-n-Amylphenol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : 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	0.6500		Relay (1.0) Calculated Property
ΔfG°	-0.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-193.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.07	kJ/mol	Joback Calculated Property
ΔvapH°	74.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-3.21		Relay (1.0) Calculated Property
logPoct/wat	3.125		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	3107.10	kPa	Joback Calculated Property
Inp	[1460.00; 1486.00]
Inp	1460.00		NIST
Inp	1462.50		NIST
Inp	1465.90		NIST
Inp	1486.00		NIST
I	[2461.00; 2461.00]
I	2461.00		NIST
I	2461.00		NIST
Tboil	544.54	K	Relay (1.0) Calculated Property
Tc	747.10	K	Relay (1.0) Calculated Property
Tfus	291.15 ± 1.00	K	NIST
Vc	0.530	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.46; 490.72]	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			-4.99360e+01
Coefficient B			1.12452e+00
Coefficient C			-8.62160e-04
Coefficient D			2.78300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.46	J/mol×K	273.00	Calculated Property
Cp,gas	252.31	J/mol×K	353.78	Calculated Property
Cp,gas	298.76	J/mol×K	434.56	Calculated Property
Cp,gas	338.69	J/mol×K	515.33	Calculated Property
Cp,gas	372.99	J/mol×K	596.11	Calculated Property
Cp,gas	402.53	J/mol×K	676.89	Calculated Property
Cp,gas	428.19	J/mol×K	757.67	Calculated Property
Cp,gas	450.86	J/mol×K	838.44	Calculated Property
Cp,gas	471.41	J/mol×K	919.22	Calculated Property
Cp,gas	490.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0288811; 0.0000599]	Pa×s	[291.15; 541.33]	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			-1.69136e+01
Coefficient B			3.89240e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			291.15
Temperature range, max.			541.33
η	0.0288811	Pa×s	291.15	Calculated Property
η	0.0090072	Pa×s	318.95	Calculated Property
η	0.0033861	Pa×s	346.74	Calculated Property
η	0.0014719	Pa×s	374.54	Calculated Property
η	0.0007179	Pa×s	402.34	Calculated Property
η	0.0003842	Pa×s	430.14	Calculated Property
η	0.0002218	Pa×s	457.93	Calculated Property
η	0.0001364	Pa×s	485.73	Calculated Property
η	0.0000884	Pa×s	513.53	Calculated Property
η	0.0000599	Pa×s	541.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[398.92; 551.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56026e+01
Coefficient B			-4.78128e+03
Coefficient C			-8.67250e+01
Temperature range, min.			398.92
Temperature range, max.			551.33
Pvap	1.33	kPa	398.92	Calculated Property
Pvap	2.93	kPa	415.85	Calculated Property
Pvap	5.97	kPa	432.79	Calculated Property
Pvap	11.37	kPa	449.72	Calculated Property
Pvap	20.45	kPa	466.66	Calculated Property
Pvap	34.99	kPa	483.59	Calculated Property
Pvap	57.29	kPa	500.53	Calculated Property
Pvap	90.23	kPa	517.46	Calculated Property
Pvap	137.31	kPa	534.40	Calculated Property
Pvap	202.67	kPa	551.33	Calculated Property

Similar Compounds

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

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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