Chemical Properties of (Z)-4-Phenylbutan-2-yl acetate

InChI

InChI=1S/C12H14O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8-

InChI Key

DSWDNUYFUXOVBI-HJWRWDBZSA-N

Formula

C12H14O2

SMILES

CC(=O)OC(C)C=Cc1ccccc1

Molecular Weight¹

190.24

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[204.81; 497.96]	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			-3.23800e+01
Coefficient B			1.03604e+00
Coefficient C			-6.52600e-04
Coefficient D			1.46900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.81	J/mol×K	273.00	Calculated Property
Cp,gas	258.97	J/mol×K	353.78	Calculated Property
Cp,gas	306.66	J/mol×K	434.56	Calculated Property
Cp,gas	348.32	J/mol×K	515.33	Calculated Property
Cp,gas	384.43	J/mol×K	596.11	Calculated Property
Cp,gas	415.46	J/mol×K	676.89	Calculated Property
Cp,gas	441.86	J/mol×K	757.67	Calculated Property
Cp,gas	464.10	J/mol×K	838.44	Calculated Property
Cp,gas	482.64	J/mol×K	919.22	Calculated Property
Cp,gas	497.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045527; 0.0001486]	Pa×s	[273.67; 546.00]	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			-1.22527e+01
Coefficient B			1.87756e+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.			273.67
Temperature range, max.			546.00
η	0.0045527	Pa×s	273.67	Calculated Property
η	0.0022995	Pa×s	303.93	Calculated Property
η	0.0013143	Pa×s	334.19	Calculated Property
η	0.0008244	Pa×s	364.45	Calculated Property
η	0.0005554	Pa×s	394.71	Calculated Property
η	0.0003958	Pa×s	424.97	Calculated Property
η	0.0002951	Pa×s	455.22	Calculated Property
η	0.0002282	Pa×s	485.48	Calculated Property
η	0.0001819	Pa×s	515.74	Calculated Property
η	0.0001486	Pa×s	546.00	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-4-Phenylbutan-2-yl acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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