Chemical Properties of Cyclobutanecarboxylic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C18H18O3/c19-18(15-7-4-8-15)21-17-11-9-16(10-12-17)20-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,15H,4,7-8,13H2

InChI Key

MLTQEXIFKGNXBF-UHFFFAOYSA-N

Formula

C18H18O3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)C1CCC1

Molecular Weight¹

282.34

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	31.66	kJ/mol	Joback Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
logPoct/wat	3.971		Crippen Calculated Property
McVol	219.410	ml/mol	McGowan Calculated Property
Inp	[2335.00; 2335.00]
Inp	2335.00		NIST
Inp	2335.00		NIST
Tboil	654.10	K	Relay (1.0) Calculated Property
Tfus	338.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.37; 716.68]	J/mol×K	[761.43; 1002.80]
Cp,gas	635.37	J/mol×K	761.43	Joback Calculated Property
Cp,gas	652.48	J/mol×K	801.66	Joback Calculated Property
Cp,gas	668.07	J/mol×K	841.89	Joback Calculated Property
Cp,gas	682.21	J/mol×K	882.12	Joback Calculated Property
Cp,gas	694.98	J/mol×K	922.34	Joback Calculated Property
Cp,gas	706.44	J/mol×K	962.57	Joback Calculated Property
Cp,gas	716.68	J/mol×K	1002.80	Joback Calculated Property
η	[0.0001356; 0.0011935]	Pa×s	[436.96; 761.43]
η	0.0011935	Pa×s	436.96	Joback Calculated Property
η	0.0006803	Pa×s	491.04	Joback Calculated Property
η	0.0004335	Pa×s	545.12	Joback Calculated Property
η	0.0002997	Pa×s	599.20	Joback Calculated Property
η	0.0002202	Pa×s	653.27	Joback Calculated Property
η	0.0001696	Pa×s	707.35	Joback Calculated Property
η	0.0001356	Pa×s	761.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, 4-benzyloxyphenyl 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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