Chemical Properties of Cyclobutanecarboxylic acid, 2-isopropoxyohenyl ester

InChI

InChI=1S/C14H18O3/c1-10(2)16-12-8-3-4-9-13(12)17-14(15)11-6-5-7-11/h3-4,8-11H,5-7H2,1-2H3

InChI Key

LGYNTCSGORWHHN-UHFFFAOYSA-N

Formula

C14H18O3

SMILES

CC(C)Oc1ccccc1OC(=O)C1CCC1

Molecular Weight¹

234.29

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.74	kJ/mol	Joback Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	3.179		Crippen Calculated Property
McVol	186.810	ml/mol	McGowan Calculated Property
Inp	[1656.00; 1656.00]
Inp	1656.00		NIST
Inp	1656.00		NIST
Tfus	310.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[250.86; 628.70]	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			-3.55800e+01
Coefficient B			1.22464e+00
Coefficient C			-6.73360e-04
Coefficient D			1.13000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.86	J/mol×K	273.00	Calculated Property
Cp,gas	318.40	J/mol×K	353.78	Calculated Property
Cp,gas	378.71	J/mol×K	434.56	Calculated Property
Cp,gas	432.16	J/mol×K	515.33	Calculated Property
Cp,gas	479.10	J/mol×K	596.11	Calculated Property
Cp,gas	519.89	J/mol×K	676.89	Calculated Property
Cp,gas	554.89	J/mol×K	757.67	Calculated Property
Cp,gas	584.45	J/mol×K	838.44	Calculated Property
Cp,gas	608.94	J/mol×K	919.22	Calculated Property
Cp,gas	628.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020833; 0.0002244]	Pa×s	[350.46; 604.59]	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			-1.14754e+01
Coefficient B			1.85800e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			350.46
Temperature range, max.			604.59
η	0.0020833	Pa×s	350.46	Calculated Property
η	0.0014030	Pa×s	378.70	Calculated Property
η	0.0009982	Pa×s	406.93	Calculated Property
η	0.0007423	Pa×s	435.17	Calculated Property
η	0.0005722	Pa×s	463.41	Calculated Property
η	0.0004545	Pa×s	491.64	Calculated Property
η	0.0003702	Pa×s	519.88	Calculated Property
η	0.0003079	Pa×s	548.12	Calculated Property
η	0.0002608	Pa×s	576.35	Calculated Property
η	0.0002244	Pa×s	604.59	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, 2-isopropoxyohenyl 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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