Chemical Properties of ETHANONE, 1-[4-(1-METHYL-2-PROPENYL)PHENYL]-

InChI

InChI=1S/C12H14O/c1-4-9(2)11-5-7-12(8-6-11)10(3)13/h4-9H,1H2,2-3H3

InChI Key

PGFYBSVJKSNEJQ-UHFFFAOYSA-N

Formula

C12H14O

SMILES

C=CC(C)c1ccc(C(C)=O)cc1

Molecular Weight¹

174.24

Other Names

• 1-[4-(1-Methyl-2-propenyl)phenyl]ethanone

• 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	[196.14; 477.90]	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			-2.49400e+01
Coefficient B			9.63340e-01
Coefficient C			-6.00560e-04
Coefficient D			1.40060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.14	J/mol×K	273.00	Calculated Property
Cp,gas	246.90	J/mol×K	353.78	Calculated Property
Cp,gas	291.77	J/mol×K	434.56	Calculated Property
Cp,gas	331.18	J/mol×K	515.33	Calculated Property
Cp,gas	365.58	J/mol×K	596.11	Calculated Property
Cp,gas	395.41	J/mol×K	676.89	Calculated Property
Cp,gas	421.11	J/mol×K	757.67	Calculated Property
Cp,gas	443.13	J/mol×K	838.44	Calculated Property
Cp,gas	461.92	J/mol×K	919.22	Calculated Property
Cp,gas	477.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027861; 0.0002296]	Pa×s	[297.11; 541.98]	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			-1.14075e+01
Coefficient B			1.64137e+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.			297.11
Temperature range, max.			541.98
η	0.0027861	Pa×s	297.11	Calculated Property
η	0.0017528	Pa×s	324.32	Calculated Property
η	0.0011847	Pa×s	351.52	Calculated Property
η	0.0008471	Pa×s	378.73	Calculated Property
η	0.0006336	Pa×s	405.94	Calculated Property
η	0.0004915	Pa×s	433.15	Calculated Property
η	0.0003928	Pa×s	460.35	Calculated Property
η	0.0003220	Pa×s	487.56	Calculated Property
η	0.0002695	Pa×s	514.77	Calculated Property
η	0.0002296	Pa×s	541.98	Calculated Property

Similar Compounds

Find more compounds similar to ETHANONE, 1-[4-(1-METHYL-2-PROPENYL)PHENYL]-.

Sources

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

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