Chemical Properties of 4-Piperidyl cyclohexylphenylglycolate

InChI

InChI=1S/C19H27NO3/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/h1,3-4,7-8,16-17,20,22H,2,5-6,9-14H2

InChI Key

SRYIVCXVRSNTJR-UHFFFAOYSA-N

Formula

C19H27NO3

SMILES

O=C(OC1CCNCC1)C(O)(c1ccccc1)C1CCCCC1

Molecular Weight¹

317.43

• 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°	33.31	kJ/mol	Joback Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	2.750		Crippen Calculated Property
McVol	256.380	ml/mol	McGowan Calculated Property
Inp	[2445.00; 2445.00]
Inp	2445.00		NIST
Inp	2445.00		NIST
Tfus	387.65	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	[319.54; 910.65]	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			-1.56350e+02
Coefficient B			2.06570e+00
Coefficient C			-1.25000e-03
Coefficient D			2.51300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.54	J/mol×K	273.00	Calculated Property
Cp,gas	429.13	J/mol×K	353.78	Calculated Property
Cp,gas	525.89	J/mol×K	434.56	Calculated Property
Cp,gas	610.61	J/mol×K	515.33	Calculated Property
Cp,gas	684.08	J/mol×K	596.11	Calculated Property
Cp,gas	747.11	J/mol×K	676.89	Calculated Property
Cp,gas	800.49	J/mol×K	757.67	Calculated Property
Cp,gas	845.01	J/mol×K	838.44	Calculated Property
Cp,gas	881.46	J/mol×K	919.22	Calculated Property
Cp,gas	910.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Piperidyl cyclohexylphenylglycolate.

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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