Chemical Properties of 4-Methoxyphenyl 4'-(3-butenyloxy)benzoate (CAS 76487-56-4)

InChI

InChI=1S/C18H18O4/c1-3-4-13-21-16-7-5-14(6-8-16)18(19)22-17-11-9-15(20-2)10-12-17/h3,5-12H,1,4,13H2,2H3

InChI Key

CXPLNUIZUUBDCU-UHFFFAOYSA-N

Formula

C18H18O4

SMILES

C=CCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1

Molecular Weight¹

298.33

CAS

76487-56-4

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.25; 721.43]	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			2.07320e+01
Coefficient B			1.23582e+00
Coefficient C			-5.90020e-04
Coefficient D			5.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.25	J/mol×K	273.00	Calculated Property
Cp,gas	386.52	J/mol×K	353.78	Calculated Property
Cp,gas	450.85	J/mol×K	434.56	Calculated Property
Cp,gas	508.41	J/mol×K	515.33	Calculated Property
Cp,gas	559.38	J/mol×K	596.11	Calculated Property
Cp,gas	603.94	J/mol×K	676.89	Calculated Property
Cp,gas	642.24	J/mol×K	757.67	Calculated Property
Cp,gas	674.48	J/mol×K	838.44	Calculated Property
Cp,gas	700.82	J/mol×K	919.22	Calculated Property
Cp,gas	721.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005338; 0.0000768]	Pa×s	[455.53; 698.61]	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			-1.31078e+01
Coefficient B			2.53838e+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.			455.53
Temperature range, max.			698.61
η	0.0005338	Pa×s	455.53	Calculated Property
η	0.0003908	Pa×s	482.54	Calculated Property
η	0.0002957	Pa×s	509.55	Calculated Property
η	0.0002301	Pa×s	536.56	Calculated Property
η	0.0001834	Pa×s	563.56	Calculated Property
η	0.0001493	Pa×s	590.57	Calculated Property
η	0.0001237	Pa×s	617.58	Calculated Property
η	0.0001041	Pa×s	644.59	Calculated Property
η	0.0000889	Pa×s	671.60	Calculated Property
η	0.0000768	Pa×s	698.61	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxyphenyl 4'-(3-butenyloxy)benzoate.

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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