Chemical Properties of 2-Phenoxyethyl pentanoate

InChI

InChI=1S/C13H18O3/c1-2-3-9-13(14)16-11-10-15-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

InChI Key

VTDVFBXXQCGSIB-UHFFFAOYSA-N

Formula

C13H18O3

SMILES

CCCCC(=O)OCCOc1ccccc1

Molecular Weight¹

222.28

• 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).
• 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	[255.75; 598.10]	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			8.07500e+00
Coefficient B			1.04192e+00
Coefficient C			-5.09000e-04
Coefficient D			5.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.75	J/mol×K	273.00	Calculated Property
Cp,gas	315.51	J/mol×K	353.78	Calculated Property
Cp,gas	369.41	J/mol×K	434.56	Calculated Property
Cp,gas	417.65	J/mol×K	515.33	Calculated Property
Cp,gas	460.40	J/mol×K	596.11	Calculated Property
Cp,gas	497.83	J/mol×K	676.89	Calculated Property
Cp,gas	530.14	J/mol×K	757.67	Calculated Property
Cp,gas	557.50	J/mol×K	838.44	Calculated Property
Cp,gas	580.09	J/mol×K	919.22	Calculated Property
Cp,gas	598.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022276; 0.0001564]	Pa×s	[327.25; 562.24]	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			-1.24620e+01
Coefficient B			2.07975e+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.			327.25
Temperature range, max.			562.24
η	0.0022276	Pa×s	327.25	Calculated Property
η	0.0013929	Pa×s	353.36	Calculated Property
η	0.0009290	Pa×s	379.47	Calculated Property
η	0.0006528	Pa×s	405.58	Calculated Property
η	0.0004787	Pa×s	431.69	Calculated Property
η	0.0003637	Pa×s	457.80	Calculated Property
η	0.0002847	Pa×s	483.91	Calculated Property
η	0.0002284	Pa×s	510.02	Calculated Property
η	0.0001873	Pa×s	536.13	Calculated Property
η	0.0001564	Pa×s	562.24	Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenoxyethyl pentanoate.

Sources

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

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