Chemical Properties of phenethyl ester

InChI

InChI=1S/C16H18O/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2

InChI Key

AMOYMEBHYUTMKJ-UHFFFAOYSA-N

Formula

C16H18O

SMILES

c1ccc(CCOCCc2ccccc2)cc1

Molecular Weight¹

226.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.79; 626.23]	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			-5.39660e+01
Coefficient B			1.30280e+00
Coefficient C			-7.98000e-04
Coefficient D			1.75400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.79	J/mol×K	273.00	Calculated Property
Cp,gas	314.83	J/mol×K	353.78	Calculated Property
Cp,gas	375.87	J/mol×K	434.56	Calculated Property
Cp,gas	429.49	J/mol×K	515.33	Calculated Property
Cp,gas	476.23	J/mol×K	596.11	Calculated Property
Cp,gas	516.66	J/mol×K	676.89	Calculated Property
Cp,gas	551.31	J/mol×K	757.67	Calculated Property
Cp,gas	580.76	J/mol×K	838.44	Calculated Property
Cp,gas	605.55	J/mol×K	919.22	Calculated Property
Cp,gas	626.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017532; 0.0001422]	Pa×s	[345.15; 607.87]	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			-1.21581e+01
Coefficient B			2.00593e+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.			345.15
Temperature range, max.			607.87
η	0.0017532	Pa×s	345.15	Calculated Property
η	0.0011143	Pa×s	374.34	Calculated Property
η	0.0007563	Pa×s	403.53	Calculated Property
η	0.0005408	Pa×s	432.72	Calculated Property
η	0.0004035	Pa×s	461.91	Calculated Property
η	0.0003117	Pa×s	491.10	Calculated Property
η	0.0002479	Pa×s	520.29	Calculated Property
η	0.0002020	Pa×s	549.48	Calculated Property
η	0.0001680	Pa×s	578.68	Calculated Property
η	0.0001422	Pa×s	607.87	Calculated Property

Similar Compounds

Find more compounds similar to phenethyl ester.

Sources

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

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