Chemical Properties of Ethanol, 2-[4-(1-methylpropyl)phenoxy]- (CAS 5349-63-3)

InChI

InChI=1S/C12H18O2/c1-3-10(2)11-4-6-12(7-5-11)14-9-8-13/h4-7,10,13H,3,8-9H2,1-2H3

InChI Key

XMPKZDNQLSEWRU-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CCC(C)c1ccc(OCCO)cc1

Molecular Weight¹

194.27

CAS

5349-63-3

Other Names

• 2-(p-sec-Butylphenoxy)ethanol
• 2-(4-sec-butylphenoxy)ethanol

• 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).
• 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
ΔfG°	-91.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-355.68	kJ/mol	Joback Calculated Property
ΔfusH°	22.24	kJ/mol	Joback Calculated Property
ΔvapH°	63.95	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.571		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Pc	2574.11	kPa	Joback Calculated Property
Inp	[1536.00; 1536.00]
Inp	1536.00		NIST
Inp	1536.00		NIST
Tboil	619.78	K	Joback Calculated Property
Tc	810.79	K	Joback Calculated Property
Tfus	331.99	K	Joback Calculated Property
Vc	0.630	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.72; 504.95]	J/mol×K	[619.78; 810.79]
Cp,gas	432.72	J/mol×K	619.78	Joback Calculated Property
Cp,gas	446.46	J/mol×K	651.62	Joback Calculated Property
Cp,gas	459.49	J/mol×K	683.45	Joback Calculated Property
Cp,gas	471.84	J/mol×K	715.29	Joback Calculated Property
Cp,gas	483.53	J/mol×K	747.12	Joback Calculated Property
Cp,gas	494.56	J/mol×K	778.96	Joback Calculated Property
Cp,gas	504.95	J/mol×K	810.79	Joback Calculated Property
η	[0.0000512; 0.0051871]	Pa×s	[331.99; 619.78]
η	0.0051871	Pa×s	331.99	Joback Calculated Property
η	0.0014778	Pa×s	379.95	Joback Calculated Property
η	0.0005579	Pa×s	427.92	Joback Calculated Property
η	0.0002563	Pa×s	475.88	Joback Calculated Property
η	0.0001358	Pa×s	523.85	Joback Calculated Property
η	0.0000800	Pa×s	571.82	Joback Calculated Property
η	0.0000512	Pa×s	619.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-[4-(1-methylpropyl)phenoxy]-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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