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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.40; 592.64]	J/mol×K	[642.79; 863.70]
Cp,gas	503.40	J/mol×K	642.79	Joback Calculated Property
Cp,gas	521.16	J/mol×K	679.61	Joback Calculated Property
Cp,gas	537.72	J/mol×K	716.43	Joback Calculated Property
Cp,gas	553.12	J/mol×K	753.24	Joback Calculated Property
Cp,gas	567.38	J/mol×K	790.06	Joback Calculated Property
Cp,gas	580.54	J/mol×K	826.88	Joback Calculated Property
Cp,gas	592.64	J/mol×K	863.70	Joback Calculated Property
η	[0.0001869; 0.0020833]	Pa×s	[350.46; 642.79]
η	0.0020833	Pa×s	350.46	Joback Calculated Property
η	0.0010907	Pa×s	399.18	Joback Calculated Property
η	0.0006574	Pa×s	447.90	Joback Calculated Property
η	0.0004376	Pa×s	496.62	Joback Calculated Property
η	0.0003133	Pa×s	545.35	Joback Calculated Property
η	0.0002369	Pa×s	594.07	Joback Calculated Property
η	0.0001869	Pa×s	642.79	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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