Chemical Properties of Glutaric acid, cyclohexylmethyl diphenylmethyl ester

InChI

InChI=1S/C25H30O4/c26-23(28-19-20-11-4-1-5-12-20)17-10-18-24(27)29-25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h2-3,6-9,13-16,20,25H,1,4-5,10-12,17-19H2

InChI Key

ITINOSZVSWAWSO-UHFFFAOYSA-N

Formula

C25H30O4

SMILES

O=C(CCCC(=O)OC(c1ccccc1)c1ccccc1)OCC1CCCCC1

Molecular Weight¹

394.51

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.64	kJ/mol	Joback Calculated Property
logPoct/wat	5.613		Crippen Calculated Property
McVol	319.610	ml/mol	McGowan Calculated Property
Inp	[3046.00; 3046.00]
Inp	3046.00		NIST
Inp	3046.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[415.55; 1073.88]	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			-1.04116e+02
Coefficient B			2.23940e+00
Coefficient C			-1.29360e-03
Coefficient D			2.32200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	415.55	J/mol×K	273.00	Calculated Property
Cp,gas	536.51	J/mol×K	353.78	Calculated Property
Cp,gas	643.80	J/mol×K	434.56	Calculated Property
Cp,gas	738.16	J/mol×K	515.33	Calculated Property
Cp,gas	820.32	J/mol×K	596.11	Calculated Property
Cp,gas	891.02	J/mol×K	676.89	Calculated Property
Cp,gas	950.99	J/mol×K	757.67	Calculated Property
Cp,gas	1000.97	J/mol×K	838.44	Calculated Property
Cp,gas	1041.69	J/mol×K	919.22	Calculated Property
Cp,gas	1073.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006267; 0.0000330]	Pa×s	[501.39; 838.30]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.47004e+01
Coefficient B			3.67281e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			501.39
Temperature range, max.			838.30
η	0.0006267	Pa×s	501.39	Calculated Property
η	0.0003767	Pa×s	538.82	Calculated Property
η	0.0002419	Pa×s	576.26	Calculated Property
η	0.0001640	Pa×s	613.69	Calculated Property
η	0.0001163	Pa×s	651.13	Calculated Property
η	0.0000856	Pa×s	688.56	Calculated Property
η	0.0000650	Pa×s	726.00	Calculated Property
η	0.0000507	Pa×s	763.43	Calculated Property
η	0.0000405	Pa×s	800.87	Calculated Property
η	0.0000330	Pa×s	838.30	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl diphenylmethyl 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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