Chemical Properties of Benzeneethanol, «alpha»-(2-methylpropyl)- (CAS 7779-78-4)

InChI

InChI=1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3

InChI Key

IUADYGVMSDKSMB-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CC(C)CC(O)Cc1ccccc1

Molecular Weight¹

178.27

CAS

7779-78-4

Other Names

• 2-Pentanol, 4-methyl-1-phenyl
• 4-methyl-1-phenylpentan-2-ol
• iso-Butyl benzyl carbinol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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	0.6331		Relay (1.0) Calculated Property
ΔfH°gas	-243.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.92	kJ/mol	Joback Calculated Property
ΔvapH°	78.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.636		Crippen Calculated Property
McVol	162.050	ml/mol	McGowan Calculated Property
Pc	2681.86	kPa	Joback Calculated Property
Inp	[1366.00; 1366.00]
Inp	1366.00		NIST
Inp	1366.00		NIST
I	1983.00		NIST
Tboil	532.27	K	Relay (1.0) Calculated Property
Tc	736.89	K	Relay (1.0) Calculated Property
Tfus	292.40	K	Relay (1.0) Calculated Property
Vc	0.586	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.77; 483.41]	J/mol×K	[592.14; 787.28]
Cp,gas	407.77	J/mol×K	592.14	Joback Calculated Property
Cp,gas	422.31	J/mol×K	624.66	Joback Calculated Property
Cp,gas	436.02	J/mol×K	657.19	Joback Calculated Property
Cp,gas	448.96	J/mol×K	689.71	Joback Calculated Property
Cp,gas	461.14	J/mol×K	722.23	Joback Calculated Property
Cp,gas	472.62	J/mol×K	754.75	Joback Calculated Property
Cp,gas	483.41	J/mol×K	787.28	Joback Calculated Property
η	[0.0000667; 0.0286301]	Pa×s	[282.24; 592.14]
η	0.0286301	Pa×s	282.24	Joback Calculated Property
η	0.0047720	Pa×s	333.89	Joback Calculated Property
η	0.0012855	Pa×s	385.54	Joback Calculated Property
η	0.0004721	Pa×s	437.19	Joback Calculated Property
η	0.0002142	Pa×s	488.84	Joback Calculated Property
η	0.0001131	Pa×s	540.49	Joback Calculated Property
η	0.0000667	Pa×s	592.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanol, «alpha»-(2-methylpropyl)-.

Sources

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

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