Chemical Properties of Benzeneethanol, «beta»-methyl- (CAS 1123-85-9)

InChI

InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChI Key

RNDNSYIPLPAXAZ-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CC(CO)c1ccccc1

Molecular Weight¹

136.19

CAS

1123-85-9

Other Names

• Phenethyl alcohol, «beta»-methyl-
• «beta»-Methylphenethyl alcohol
• «beta»-Phenylpropyl alcohol
• Hydratropic alcohol
• Hydratropyl alcohol
• 1-Propanol, 2-phenyl-
• 2-Phenyl-1-propanol
• 2-Phenylpropyl alcohol
• 1-Hydroxy-2-phenylpropane
• 2-Phenylpropan-1-ol
• 2-Phenylpropanol
• NSC 5232
• «beta»-Methylphenetyl alcohol
• 1-(2-Phenyl)-1-propanol

• 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.
• I : 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	0.5759		Relay (1.0) Calculated Property
ΔfG°	-1.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-157.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.67	kJ/mol	Joback Calculated Property
ΔvapH°	71.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-1.42		Relay (1.0) Calculated Property
logPoct/wat	1.782		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3668.65	kPa	Joback Calculated Property
Inp	[1144.60; 1179.00]
Inp	1144.60		NIST
Inp	1179.00		NIST
I	[1920.00; 1975.10]
I	1975.10		NIST
I	1920.00		NIST
I	1975.10		NIST
I	1920.00		NIST
Tboil	508.88	K	Relay (1.0) Calculated Property
Tc	725.61	K	Relay (1.0) Calculated Property
Tfus	239.73	K	Relay (1.0) Calculated Property
Vc	0.412	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.01; 329.13]	J/mol×K	[523.74; 722.83]
Cp,gas	267.01	J/mol×K	523.74	Joback Calculated Property
Cp,gas	278.99	J/mol×K	556.92	Joback Calculated Property
Cp,gas	290.28	J/mol×K	590.10	Joback Calculated Property
Cp,gas	300.91	J/mol×K	623.28	Joback Calculated Property
Cp,gas	310.91	J/mol×K	656.46	Joback Calculated Property
Cp,gas	320.31	J/mol×K	689.65	Joback Calculated Property
Cp,gas	329.13	J/mol×K	722.83	Joback Calculated Property
η	[0.0001181; 0.0307952]	Pa×s	[263.43; 523.74]
η	0.0307952	Pa×s	263.43	Joback Calculated Property
η	0.0063252	Pa×s	306.81	Joback Calculated Property
η	0.0019230	Pa×s	350.20	Joback Calculated Property
η	0.0007602	Pa×s	393.59	Joback Calculated Property
η	0.0003613	Pa×s	436.97	Joback Calculated Property
η	0.0001964	Pa×s	480.36	Joback Calculated Property
η	0.0001181	Pa×s	523.74	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[383.70; 389.00]	K	[1.30; 2.40]
Tboilr	383.70	K	1.30	NIST
Tboilr	389.00 ± 1.00	K	2.40	NIST

Similar Compounds

Find more compounds similar to Benzeneethanol, «beta»-methyl-.

Sources

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

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