Chemical Properties of 2-Phenoxyethyl heptanoate

InChI

InChI=1S/C15H22O3/c1-2-3-4-8-11-15(16)18-13-12-17-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3

InChI Key

SYCCMBAXMWVEES-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

CCCCCCC(=O)OCCOc1ccccc1

Molecular Weight¹

250.34

• 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	[298.17; 701.28]	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			6.25700e+00
Coefficient B			1.23192e+00
Coefficient C			-6.17800e-04
Coefficient D			8.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.17	J/mol×K	273.00	Calculated Property
Cp,gas	368.34	J/mol×K	353.78	Calculated Property
Cp,gas	431.57	J/mol×K	434.56	Calculated Property
Cp,gas	488.11	J/mol×K	515.33	Calculated Property
Cp,gas	538.22	J/mol×K	596.11	Calculated Property
Cp,gas	582.16	J/mol×K	676.89	Calculated Property
Cp,gas	620.18	J/mol×K	757.67	Calculated Property
Cp,gas	652.53	J/mol×K	838.44	Calculated Property
Cp,gas	679.48	J/mol×K	919.22	Calculated Property
Cp,gas	701.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019168; 0.0001360]	Pa×s	[349.79; 590.87]	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			-1.27412e+01
Coefficient B			2.26807e+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.			349.79
Temperature range, max.			590.87
η	0.0019168	Pa×s	349.79	Calculated Property
η	0.0012086	Pa×s	376.58	Calculated Property
η	0.0008101	Pa×s	403.36	Calculated Property
η	0.0005708	Pa×s	430.15	Calculated Property
η	0.0004190	Pa×s	456.94	Calculated Property
η	0.0003183	Pa×s	483.72	Calculated Property
η	0.0002489	Pa×s	510.51	Calculated Property
η	0.0001995	Pa×s	537.30	Calculated Property
η	0.0001632	Pa×s	564.08	Calculated Property
η	0.0001360	Pa×s	590.87	Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenoxyethyl heptanoate.

Sources

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

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