Chemical Properties of 1-Penten-3-one, 1-phenyl- (CAS 3152-68-9)

InChI

InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

InChI Key

LVGUHATVVHIJET-CMDGGOBGSA-N

Formula

C11H12O

SMILES

CCC(=O)C=Cc1ccccc1

Molecular Weight¹

160.21

CAS

3152-68-9

Other Names

• Benzylidenemethyl ethyl ketone
• Ethyl styryl ketone
• Ethyl 2-phenylvinyl ketone
• Styryl ethyl ketone
• 1-Phenyl-1-penten-3-one
• 1-phenylpent-1-en-3-one

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.50; 426.74]	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			-4.78390e+01
Coefficient B			9.61920e-01
Coefficient C			-6.70900e-04
Coefficient D			1.83560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.50	J/mol×K	273.00	Calculated Property
Cp,gas	216.63	J/mol×K	353.78	Calculated Property
Cp,gas	258.54	J/mol×K	434.56	Calculated Property
Cp,gas	294.82	J/mol×K	515.33	Calculated Property
Cp,gas	326.05	J/mol×K	596.11	Calculated Property
Cp,gas	352.81	J/mol×K	676.89	Calculated Property
Cp,gas	375.68	J/mol×K	757.67	Calculated Property
Cp,gas	395.24	J/mol×K	838.44	Calculated Property
Cp,gas	412.06	J/mol×K	919.22	Calculated Property
Cp,gas	426.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028677; 0.0002131]	Pa×s	[285.00; 530.20]	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			-1.14755e+01
Coefficient B			1.60205e+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.			285.00
Temperature range, max.			530.20
η	0.0028677	Pa×s	285.00	Calculated Property
η	0.0017560	Pa×s	312.24	Calculated Property
η	0.0011633	Pa×s	339.49	Calculated Property
η	0.0008193	Pa×s	366.73	Calculated Property
η	0.0006057	Pa×s	393.98	Calculated Property
η	0.0004656	Pa×s	421.22	Calculated Property
η	0.0003696	Pa×s	448.47	Calculated Property
η	0.0003012	Pa×s	475.71	Calculated Property
η	0.0002510	Pa×s	502.96	Calculated Property
η	0.0002131	Pa×s	530.20	Calculated Property

Similar Compounds

Find more compounds similar to 1-Penten-3-one, 1-phenyl-.

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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