Chemical Properties of Benzenemethanol, «alpha»-ethyl- (CAS 93-54-9)

InChI

InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChI Key

DYUQAZSOFZSPHD-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CCC(O)c1ccccc1

Molecular Weight¹

136.19

CAS

93-54-9

Other Names

• .alpha.-ethylbenzyl alcohol
• 1-Phenyl-1-Hydroxypropane
• 1-Phenyl-n-propanol
• 1-Phenylpropan-1-ol
• 1-Phenylpropanol
• 1-Phenylpropyl alcohol
• 1-Propanol, 1-phenyl-
• 1-phenyl-1-propanol
• Benzyl alcohol, «alpha»-ethyl-
• Bilergon
• Carbicol
• Choleda
• Ejibil
• Epatoxfen
• Ethyl phenyl carbinol
• Felicur
• Felitrope
• Fenicol
• Fepar
• Gallenperlen
• Livonal
• NSC 25504
• Phenicol
• Phenychol
• Phenycholon
• Phenyl ethyl carbinol
• Phenyl-1-propan-1-ol
• Phenylaethylcarbinol
• Phenylchol
• Phenylcholon
• SH 261
• Unichol
• «alpha»-Ethylbenzenemethanol
• «alpha»-Ethylbenzyl alcohol
• «alpha»-Hydroxypropylbenzene
• «omega»-Ethylbenzyl alcohol

• 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5623		Relay (1.0) Calculated Property
ΔfG°	-1.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-173.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.67	kJ/mol	Joback Calculated Property
ΔvapH°	73.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	2.130		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3668.65	kPa	Joback Calculated Property
Ip	[1908.00; 1908.00]
Ip	1908.00		NIST
Ip	1908.00		NIST
Tboil	474.57	K	Relay (1.0) Calculated Property
Tc	701.15	K	Relay (1.0) Calculated Property
Tfus	262.50	K	Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
Vc	0.433	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.34; 384.33]	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			-3.55890e+01
Coefficient B			8.19820e-01
Coefficient C			-5.30600e-04
Coefficient D			1.30700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.34	J/mol×K	273.00	Calculated Property
Cp,gas	193.82	J/mol×K	353.78	Calculated Property
Cp,gas	231.20	J/mol×K	434.56	Calculated Property
Cp,gas	263.87	J/mol×K	515.33	Calculated Property
Cp,gas	292.25	J/mol×K	596.11	Calculated Property
Cp,gas	316.76	J/mol×K	676.89	Calculated Property
Cp,gas	337.81	J/mol×K	757.67	Calculated Property
Cp,gas	355.82	J/mol×K	838.44	Calculated Property
Cp,gas	371.18	J/mol×K	919.22	Calculated Property
Cp,gas	384.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0320410; 0.0001436]	Pa×s	[262.50; 506.17]	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			-1.46739e+01
Coefficient B			2.94871e+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.			262.50
Temperature range, max.			506.17
η	0.0320410	Pa×s	262.50	Calculated Property
η	0.0112092	Pa×s	289.57	Calculated Property
η	0.0046930	Pa×s	316.65	Calculated Property
η	0.0022537	Pa×s	343.72	Calculated Property
η	0.0012046	Pa×s	370.80	Calculated Property
η	0.0007012	Pa×s	397.87	Calculated Property
η	0.0004373	Pa×s	424.95	Calculated Property
η	0.0002886	Pa×s	452.02	Calculated Property
η	0.0001996	Pa×s	479.10	Calculated Property
η	0.0001436	Pa×s	506.17	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, «alpha»-ethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
• Joback Method
• McGowan Method
• NIST Webbook

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