Chemical Properties of Glutaric acid, cyclohexylmethyl 4-cyanophenyl ester

InChI

InChI=1S/C19H23NO4/c20-13-15-9-11-17(12-10-15)24-19(22)8-4-7-18(21)23-14-16-5-2-1-3-6-16/h9-12,16H,1-8,14H2

InChI Key

NCIIMKSUQCAWIJ-UHFFFAOYSA-N

Formula

C19H23NO4

SMILES

N#Cc1ccc(OC(=O)CCCC(=O)OCC2CCCCC2)cc1

Molecular Weight¹

329.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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°	40.70	kJ/mol	Joback Calculated Property
logPoct/wat	3.757		Crippen Calculated Property
McVol	260.210	ml/mol	McGowan Calculated Property
Inp	[2053.00; 2053.00]
Inp	2053.00		NIST
Inp	2053.00		NIST
Tfus	326.80	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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.77; 855.76]	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			-3.17760e+01
Coefficient B			1.61770e+00
Coefficient C			-8.34760e-04
Coefficient D			1.04600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.77	J/mol×K	273.00	Calculated Property
Cp,gas	440.68	J/mol×K	353.78	Calculated Property
Cp,gas	522.15	J/mol×K	434.56	Calculated Property
Cp,gas	594.51	J/mol×K	515.33	Calculated Property
Cp,gas	658.08	J/mol×K	596.11	Calculated Property
Cp,gas	713.20	J/mol×K	676.89	Calculated Property
Cp,gas	760.20	J/mol×K	757.67	Calculated Property
Cp,gas	799.40	J/mol×K	838.44	Calculated Property
Cp,gas	831.15	J/mol×K	919.22	Calculated Property
Cp,gas	855.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 4-cyanophenyl 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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