Chemical Properties of Alpha-phenylethyl n-butyl ether

InChI

InChI=1S/C12H18O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3

InChI Key

AQGPVCBVZAHVBN-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CCCCOC(C)c1ccccc1

Molecular Weight¹

178.28

Other Names

• (1-Butoxyethyl)benzene

• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.88; 538.93]	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			-1.81070e+01
Coefficient B			1.00764e+00
Coefficient C			-5.52400e-04
Coefficient D			1.01800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.88	J/mol×K	273.00	Calculated Property
Cp,gas	273.74	J/mol×K	353.78	Calculated Property
Cp,gas	323.81	J/mol×K	434.56	Calculated Property
Cp,gas	368.40	J/mol×K	515.33	Calculated Property
Cp,gas	407.83	J/mol×K	596.11	Calculated Property
Cp,gas	442.43	J/mol×K	676.89	Calculated Property
Cp,gas	472.52	J/mol×K	757.67	Calculated Property
Cp,gas	498.41	J/mol×K	838.44	Calculated Property
Cp,gas	520.45	J/mol×K	919.22	Calculated Property
Cp,gas	538.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039484; 0.0001785]	Pa×s	[258.65; 507.41]	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			-1.18507e+01
Coefficient B			1.63369e+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.			258.65
Temperature range, max.			507.41
η	0.0039484	Pa×s	258.65	Calculated Property
η	0.0021458	Pa×s	286.29	Calculated Property
η	0.0012983	Pa×s	313.93	Calculated Property
η	0.0008521	Pa×s	341.57	Calculated Property
η	0.0005957	Pa×s	369.21	Calculated Property
η	0.0004377	Pa×s	396.85	Calculated Property
η	0.0003348	Pa×s	424.49	Calculated Property
η	0.0002646	Pa×s	452.13	Calculated Property
η	0.0002149	Pa×s	479.77	Calculated Property
η	0.0001785	Pa×s	507.41	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-phenylethyl n-butyl ether.

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.