Chemical Properties of Fenipentol (CAS 583-03-9)

InChI

InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3

InChI Key

OVGORFFCBUIFIA-UHFFFAOYSA-N

Formula

C11H16O

SMILES

CCCCC(O)c1ccccc1

Molecular Weight¹

164.24

CAS

583-03-9

Other Names

• Benzenemethanol, «alpha»-butyl-
• Benzyl alcohol, «alpha»-butyl-
• «alpha»-Butylbenzenemethanol
• «alpha»-Butylbenzyl alcohol
• Pancoral
• Phenylbutylcarbinol
• 1-Pentanol, 1-phenyl-
• 1-Phenyl-1-pentanol
• 1-Phenylpentanol
• Suiclisin
• 1-Phenyl-1-hydroxypentane
• 1-Hydroxy-1-phenylpentane
• PC 1
• PH BC
• 1-Phenyl-1-hydroxy-n-pentane
• NSC 8478

• 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	0.6386		Relay (1.0) Calculated Property
ΔfG°	14.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.85	kJ/mol	Joback Calculated Property
ΔvapH°	77.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-2.20		Relay (1.0) Calculated Property
logPoct/wat	2.910		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	2944.08	kPa	Joback Calculated Property
Inp	[1321.00; 1321.00]
Inp	1321.00		NIST
Inp	1321.00		NIST
Tboil	501.44	K	Relay (1.0) Calculated Property
Tc	728.46	K	Relay (1.0) Calculated Property
Tfus	300.45	K	Relay (1.0) Calculated Property
Vc	0.544	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.76; 487.51]	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			-3.74070e+01
Coefficient B			1.00982e+00
Coefficient C			-6.39400e-04
Coefficient D			1.54500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.76	J/mol×K	273.00	Calculated Property
Cp,gas	246.66	J/mol×K	353.78	Calculated Property
Cp,gas	293.35	J/mol×K	434.56	Calculated Property
Cp,gas	334.33	J/mol×K	515.33	Calculated Property
Cp,gas	370.08	J/mol×K	596.11	Calculated Property
Cp,gas	401.09	J/mol×K	676.89	Calculated Property
Cp,gas	427.85	J/mol×K	757.67	Calculated Property
Cp,gas	450.84	J/mol×K	838.44	Calculated Property
Cp,gas	470.57	J/mol×K	919.22	Calculated Property
Cp,gas	487.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0199438; 0.0001215]	Pa×s	[285.97; 534.50]	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			-1.48846e+01
Coefficient B			3.13703e+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.			285.97
Temperature range, max.			534.50
η	0.0199438	Pa×s	285.97	Calculated Property
η	0.0075907	Pa×s	313.58	Calculated Property
η	0.0033780	Pa×s	341.20	Calculated Property
η	0.0016971	Pa×s	368.81	Calculated Property
η	0.0009384	Pa×s	396.43	Calculated Property
η	0.0005605	Pa×s	424.04	Calculated Property
η	0.0003566	Pa×s	451.65	Calculated Property
η	0.0002390	Pa×s	479.27	Calculated Property
η	0.0001673	Pa×s	506.88	Calculated Property
η	0.0001215	Pa×s	534.50	Calculated Property

Similar Compounds

Find more compounds similar to Fenipentol.

Sources

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

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