Chemical Properties of Carbonic acid, allyl 4-isopropylphenyl ester

InChI

InChI=1S/C13H16O3/c1-4-9-15-13(14)16-12-7-5-11(6-8-12)10(2)3/h4-8,10H,1,9H2,2-3H3

InChI Key

HGLOCQRSJASENM-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

C=CCOC(=O)Oc1ccc(C(C)C)cc1

Molecular Weight¹

220.26

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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	[248.17; 567.08]	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			1.77010e+01
Coefficient B			9.68340e-01
Coefficient C			-4.68060e-04
Coefficient D			4.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.17	J/mol×K	273.00	Calculated Property
Cp,gas	303.87	J/mol×K	353.78	Calculated Property
Cp,gas	354.14	J/mol×K	434.56	Calculated Property
Cp,gas	399.14	J/mol×K	515.33	Calculated Property
Cp,gas	439.02	J/mol×K	596.11	Calculated Property
Cp,gas	473.93	J/mol×K	676.89	Calculated Property
Cp,gas	504.04	J/mol×K	757.67	Calculated Property
Cp,gas	529.50	J/mol×K	838.44	Calculated Property
Cp,gas	550.46	J/mol×K	919.22	Calculated Property
Cp,gas	567.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020728; 0.0001422]	Pa×s	[323.01; 569.22]	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			-1.23742e+01
Coefficient B			2.00115e+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.			323.01
Temperature range, max.			569.22
η	0.0020728	Pa×s	323.01	Calculated Property
η	0.0012779	Pa×s	350.37	Calculated Property
η	0.0008450	Pa×s	377.72	Calculated Property
η	0.0005908	Pa×s	405.08	Calculated Property
η	0.0004322	Pa×s	432.44	Calculated Property
η	0.0003282	Pa×s	459.79	Calculated Property
η	0.0002570	Pa×s	487.15	Calculated Property
η	0.0002066	Pa×s	514.51	Calculated Property
η	0.0001698	Pa×s	541.86	Calculated Property
η	0.0001422	Pa×s	569.22	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, allyl 4-isopropylphenyl ester.

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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