Chemical Properties of (E)-4-Phenylbut-3,4-epoxy-2-one

InChI

InChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3/t9-,10-/m0/s1

InChI Key

IGCQIHCZUYCYAA-UWVGGRQHSA-N

Formula

C10H10O2

SMILES

CC(=O)[C@@H]1O[C@H]1c1ccccc1

Molecular Weight¹

162.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[157.47; 411.65]	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			-5.97300e+01
Coefficient B			9.68320e-01
Coefficient C			-6.83600e-04
Coefficient D			1.86660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.47	J/mol×K	273.00	Calculated Property
Cp,gas	205.55	J/mol×K	353.78	Calculated Property
Cp,gas	247.29	J/mol×K	434.56	Calculated Property
Cp,gas	283.28	J/mol×K	515.33	Calculated Property
Cp,gas	314.12	J/mol×K	596.11	Calculated Property
Cp,gas	340.39	J/mol×K	676.89	Calculated Property
Cp,gas	362.69	J/mol×K	757.67	Calculated Property
Cp,gas	381.61	J/mol×K	838.44	Calculated Property
Cp,gas	397.73	J/mol×K	919.22	Calculated Property
Cp,gas	411.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022140; 0.0006235]	Pa×s	[319.08; 537.51]	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			-9.23124e+00
Coefficient B			9.94990e+02
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.			319.08
Temperature range, max.			537.51
η	0.0022140	Pa×s	319.08	Calculated Property
η	0.0017761	Pa×s	343.35	Calculated Property
η	0.0014668	Pa×s	367.62	Calculated Property
η	0.0012404	Pa×s	391.89	Calculated Property
η	0.0010697	Pa×s	416.16	Calculated Property
η	0.0009377	Pa×s	440.43	Calculated Property
η	0.0008333	Pa×s	464.70	Calculated Property
η	0.0007493	Pa×s	488.97	Calculated Property
η	0.0006805	Pa×s	513.24	Calculated Property
η	0.0006235	Pa×s	537.51	Calculated Property

Similar Compounds

Find more compounds similar to (E)-4-Phenylbut-3,4-epoxy-2-one.

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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