Chemical Properties of Cyclohexanecarboxylic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C20H22O3/c21-20(17-9-5-2-6-10-17)23-19-13-11-18(12-14-19)22-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2

InChI Key

WFTHGCZJTHGGCB-UHFFFAOYSA-N

Formula

C20H22O3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)C1CCCCC1

Molecular Weight¹

310.39

• 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°	32.64	kJ/mol	Joback Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
logPoct/wat	4.751		Crippen Calculated Property
McVol	247.590	ml/mol	McGowan Calculated Property
Inp	[2589.00; 2589.00]
Inp	2589.00		NIST
Inp	2589.00		NIST
Tboil	679.57	K	Relay (1.0) Calculated Property
Tfus	350.45	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	[755.18; 837.70]	J/mol×K	[815.73; 1061.47]
Cp,gas	755.18	J/mol×K	815.73	Joback Calculated Property
Cp,gas	773.32	J/mol×K	856.69	Joback Calculated Property
Cp,gas	789.63	J/mol×K	897.64	Joback Calculated Property
Cp,gas	804.15	J/mol×K	938.60	Joback Calculated Property
Cp,gas	816.97	J/mol×K	979.55	Joback Calculated Property
Cp,gas	828.13	J/mol×K	1020.51	Joback Calculated Property
Cp,gas	837.70	J/mol×K	1061.47	Joback Calculated Property
η	[0.0000528; 0.0008695]	Pa×s	[452.46; 815.73]
η	0.0008695	Pa×s	452.46	Joback Calculated Property
η	0.0004139	Pa×s	513.00	Joback Calculated Property
η	0.0002305	Pa×s	573.55	Joback Calculated Property
η	0.0001435	Pa×s	634.10	Joback Calculated Property
η	0.0000971	Pa×s	694.64	Joback Calculated Property
η	0.0000699	Pa×s	755.18	Joback Calculated Property
η	0.0000528	Pa×s	815.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic 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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