Chemical Properties of 1-(4-Isobutylphenyl)-1-ethanol, methyl

InChI

InChI=1S/C13H20O/c1-10(2)9-12-5-7-13(8-6-12)11(3)14-4/h5-8,10-11H,9H2,1-4H3

InChI Key

CXJYXHFRLZJNKT-UHFFFAOYSA-N

Formula

C13H20O

SMILES

COC(C)c1ccc(CC(C)C)cc1

Molecular Weight¹

192.30

• 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	0.4861		Relay (1.0) Calculated Property
ΔfG°	51.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-231.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.22	kJ/mol	Joback Calculated Property
ΔvapH°	63.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	3.593		Crippen Calculated Property
McVol	176.140	ml/mol	McGowan Calculated Property
Pc	2161.32	kPa	Joback Calculated Property
Inp	[1322.00; 1322.00]
Inp	1322.00		NIST
Inp	1322.00		NIST
Tboil	502.60	K	Relay (1.0) Calculated Property
Tc	706.52	K	Relay (1.0) Calculated Property
Tfus	258.82	K	Relay (1.0) Calculated Property
Vc	0.646	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.06; 513.94]	J/mol×K	[550.04; 754.44]
Cp,gas	421.06	J/mol×K	550.04	Joback Calculated Property
Cp,gas	438.73	J/mol×K	584.11	Joback Calculated Property
Cp,gas	455.49	J/mol×K	618.17	Joback Calculated Property
Cp,gas	471.37	J/mol×K	652.24	Joback Calculated Property
Cp,gas	486.39	J/mol×K	686.31	Joback Calculated Property
Cp,gas	500.58	J/mol×K	720.37	Joback Calculated Property
Cp,gas	513.94	J/mol×K	754.44	Joback Calculated Property
η	[0.0001368; 0.0036850]	Pa×s	[267.44; 550.04]
η	0.0036850	Pa×s	267.44	Joback Calculated Property
η	0.0014111	Pa×s	314.54	Joback Calculated Property
η	0.0006938	Pa×s	361.64	Joback Calculated Property
η	0.0004018	Pa×s	408.74	Joback Calculated Property
η	0.0002605	Pa×s	455.84	Joback Calculated Property
η	0.0001832	Pa×s	502.94	Joback Calculated Property
η	0.0001368	Pa×s	550.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Isobutylphenyl)-1-ethanol, methyl.

Sources

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

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