Chemical Properties of Ethanol, 2-[4-(1-methylpropyl)phenoxy]-

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

Other Names

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

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7521		Relay (1.0) Calculated Property
ΔfH°gas	-375.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.24	kJ/mol	Joback Calculated Property
ΔvapH°	80.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) 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	574.22	K	Relay (1.0) Calculated Property
Tc	779.59	K	Relay (1.0) Calculated Property
Tfus	294.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.93; 554.56]	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			1.48300e+00
Coefficient B			9.82140e-01
Coefficient C			-5.15760e-04
Coefficient D			8.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.93	J/mol×K	273.00	Calculated Property
Cp,gas	288.23	J/mol×K	353.78	Calculated Property
Cp,gas	338.00	J/mol×K	434.56	Calculated Property
Cp,gas	382.51	J/mol×K	515.33	Calculated Property
Cp,gas	422.04	J/mol×K	596.11	Calculated Property
Cp,gas	456.86	J/mol×K	676.89	Calculated Property
Cp,gas	487.25	J/mol×K	757.67	Calculated Property
Cp,gas	513.48	J/mol×K	838.44	Calculated Property
Cp,gas	535.83	J/mol×K	919.22	Calculated Property
Cp,gas	554.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051871; 0.0000834]	Pa×s	[331.99; 567.74]	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			-1.52077e+01
Coefficient B			3.30202e+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.			331.99
Temperature range, max.			567.74
η	0.0051871	Pa×s	331.99	Calculated Property
η	0.0025063	Pa×s	358.18	Calculated Property
η	0.0013372	Pa×s	384.38	Calculated Property
η	0.0007730	Pa×s	410.57	Calculated Property
η	0.0004772	Pa×s	436.77	Calculated Property
η	0.0003111	Pa×s	462.96	Calculated Property
η	0.0002123	Pa×s	489.16	Calculated Property
η	0.0001507	Pa×s	515.35	Calculated Property
η	0.0001105	Pa×s	541.54	Calculated Property
η	0.0000834	Pa×s	567.74	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.