Chemical Properties of 4-Piperidyl benzilate (CAS 25811-48-7)

InChI

InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2

InChI Key

CNWMSZBRGJWEKC-UHFFFAOYSA-N

Formula

C19H21NO3

SMILES

O=C(OC1CCNCC1)C(O)(c1ccccc1)c1ccccc1

Molecular Weight¹

311.37

CAS

25811-48-7

Other Names

• 4-Piperidyl benzylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	35.52	kJ/mol	Joback Calculated Property
log10WS	-2.12		Relay (1.0) Calculated Property
logPoct/wat	2.218		Crippen Calculated Property
McVol	243.480	ml/mol	McGowan Calculated Property
Inp	[2466.00; 2466.00]
Inp	2466.00		NIST
Inp	2466.00		NIST
Tfus	376.09	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	[300.40; 807.05]	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			-1.24650e+02
Coefficient B			1.86470e+00
Coefficient C			-1.20020e-03
Coefficient D			2.67200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.40	J/mol×K	273.00	Calculated Property
Cp,gas	396.66	J/mol×K	353.78	Calculated Property
Cp,gas	480.95	J/mol×K	434.56	Calculated Property
Cp,gas	554.12	J/mol×K	515.33	Calculated Property
Cp,gas	617.03	J/mol×K	596.11	Calculated Property
Cp,gas	670.51	J/mol×K	676.89	Calculated Property
Cp,gas	715.40	J/mol×K	757.67	Calculated Property
Cp,gas	752.56	J/mol×K	838.44	Calculated Property
Cp,gas	782.83	J/mol×K	919.22	Calculated Property
Cp,gas	807.05	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Piperidyl benzilate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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