Chemical Properties of TRANS-4-METHOXY-3-BUTEN-2-ONE

InChI

InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3

InChI Key

VLLHEPHWWIDUSS-ONEGZZNKSA-N

Formula

C5H8O2

SMILES

CO/C=C/C(C)=O

Molecular Weight¹

100.12

Other Names

• (E)-4-methoxy-3-buten-2-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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[113.88; 254.22]	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			1.70200e+01
Coefficient B			4.07640e-01
Coefficient C			-2.02300e-04
Coefficient D			3.18600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.88	J/mol×K	273.00	Calculated Property
Cp,gas	137.33	J/mol×K	353.78	Calculated Property
Cp,gas	158.57	J/mol×K	434.56	Calculated Property
Cp,gas	177.73	J/mol×K	515.33	Calculated Property
Cp,gas	194.88	J/mol×K	596.11	Calculated Property
Cp,gas	210.14	J/mol×K	676.89	Calculated Property
Cp,gas	223.60	J/mol×K	757.67	Calculated Property
Cp,gas	235.37	J/mol×K	838.44	Calculated Property
Cp,gas	245.54	J/mol×K	919.22	Calculated Property
Cp,gas	254.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025463; 0.0002049]	Pa×s	[213.19; 407.76]	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			-1.12537e+01
Coefficient B			1.12576e+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.			213.19
Temperature range, max.			407.76
η	0.0025463	Pa×s	213.19	Calculated Property
η	0.0015659	Pa×s	234.81	Calculated Property
η	0.0010453	Pa×s	256.43	Calculated Property
η	0.0007430	Pa×s	278.05	Calculated Property
η	0.0005548	Pa×s	299.66	Calculated Property
η	0.0004309	Pa×s	321.28	Calculated Property
η	0.0003455	Pa×s	342.90	Calculated Property
η	0.0002843	Pa×s	364.52	Calculated Property
η	0.0002392	Pa×s	386.14	Calculated Property
η	0.0002049	Pa×s	407.76	Calculated Property

Similar Compounds

Find more compounds similar to TRANS-4-METHOXY-3-BUTEN-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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