Chemical Properties of Hexyl 2-phenoxybutyrate

InChI

InChI=1S/C16H24O3/c1-3-5-6-10-13-18-16(17)15(4-2)19-14-11-8-7-9-12-14/h7-9,11-12,15H,3-6,10,13H2,1-2H3

InChI Key

MPOWEJRLFLCFNF-UHFFFAOYSA-N

Formula

C16H24O3

SMILES

CCCCCCOC(=O)C(CC)Oc1ccccc1

Molecular Weight¹

264.36

• 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	[319.07; 753.41]	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			3.66600e+00
Coefficient B			1.33284e+00
Coefficient C			-6.75400e-04
Coefficient D			9.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.07	J/mol×K	273.00	Calculated Property
Cp,gas	394.75	J/mol×K	353.78	Calculated Property
Cp,gas	462.89	J/mol×K	434.56	Calculated Property
Cp,gas	523.79	J/mol×K	515.33	Calculated Property
Cp,gas	577.74	J/mol×K	596.11	Calculated Property
Cp,gas	625.02	J/mol×K	676.89	Calculated Property
Cp,gas	665.94	J/mol×K	757.67	Calculated Property
Cp,gas	700.78	J/mol×K	838.44	Calculated Property
Cp,gas	729.84	J/mol×K	919.22	Calculated Property
Cp,gas	753.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022783; 0.0001152]	Pa×s	[346.06; 607.42]	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			-1.30197e+01
Coefficient B			2.40005e+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.			346.06
Temperature range, max.			607.42
η	0.0022783	Pa×s	346.06	Calculated Property
η	0.0013318	Pa×s	375.10	Calculated Property
η	0.0008409	Pa×s	404.14	Calculated Property
η	0.0005647	Pa×s	433.18	Calculated Property
η	0.0003987	Pa×s	462.22	Calculated Property
η	0.0002933	Pa×s	491.26	Calculated Property
η	0.0002233	Pa×s	520.30	Calculated Property
η	0.0001750	Pa×s	549.34	Calculated Property
η	0.0001405	Pa×s	578.38	Calculated Property
η	0.0001152	Pa×s	607.42	Calculated Property

Similar Compounds

Find more compounds similar to Hexyl 2-phenoxybutyrate.

Sources

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

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