Chemical Properties of Butyl 2-phenoxybutyrate

InChI

InChI=1S/C14H20O3/c1-3-5-11-16-14(15)13(4-2)17-12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3

InChI Key

LANPZDBBZPZMQZ-UHFFFAOYSA-N

Formula

C14H20O3

SMILES

CCCCOC(=O)C(CC)Oc1ccccc1

Molecular Weight¹

236.31

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[276.64; 650.22]	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			5.48400e+00
Coefficient B			1.14284e+00
Coefficient C			-5.66600e-04
Coefficient D			6.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.64	J/mol×K	273.00	Calculated Property
Cp,gas	341.91	J/mol×K	353.78	Calculated Property
Cp,gas	400.74	J/mol×K	434.56	Calculated Property
Cp,gas	453.33	J/mol×K	515.33	Calculated Property
Cp,gas	499.91	J/mol×K	596.11	Calculated Property
Cp,gas	540.70	J/mol×K	676.89	Calculated Property
Cp,gas	575.91	J/mol×K	757.67	Calculated Property
Cp,gas	605.75	J/mol×K	838.44	Calculated Property
Cp,gas	630.45	J/mol×K	919.22	Calculated Property
Cp,gas	650.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027466; 0.0001348]	Pa×s	[323.52; 578.69]	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			-1.27339e+01
Coefficient B			2.21173e+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.			323.52
Temperature range, max.			578.69
η	0.0027466	Pa×s	323.52	Calculated Property
η	0.0015833	Pa×s	351.87	Calculated Property
η	0.0009908	Pa×s	380.22	Calculated Property
η	0.0006618	Pa×s	408.58	Calculated Property
η	0.0004657	Pa×s	436.93	Calculated Property
η	0.0003421	Pa×s	465.28	Calculated Property
η	0.0002604	Pa×s	493.63	Calculated Property
η	0.0002041	Pa×s	521.99	Calculated Property
η	0.0001641	Pa×s	550.34	Calculated Property
η	0.0001348	Pa×s	578.69	Calculated Property

Similar Compounds

Find more compounds similar to Butyl 2-phenoxybutyrate.

Sources

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

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