Chemical Properties of Glutaric acid, cyclohexylmethyl 3-phenoxybenzyl ester

InChI

InChI=1S/C25H30O5/c26-24(28-18-20-9-3-1-4-10-20)15-8-16-25(27)29-19-21-11-7-14-23(17-21)30-22-12-5-2-6-13-22/h2,5-7,11-14,17,20H,1,3-4,8-10,15-16,18-19H2

InChI Key

OHAMVGAAFQFREY-UHFFFAOYSA-N

Formula

C25H30O5

SMILES

O=C(CCCC(=O)OCC1CCCCC1)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

410.51

• 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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.96	kJ/mol	Joback Calculated Property
log10WS	-5.90		Relay (1.0) Calculated Property
logPoct/wat	5.816		Crippen Calculated Property
McVol	325.480	ml/mol	McGowan Calculated Property
Inp	[3254.00; 3254.00]
Inp	3254.00		NIST
Inp	3254.00		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 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	[433.82; 1088.81]	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			-6.26350e+01
Coefficient B			2.11080e+00
Coefficient C			-1.11236e-03
Coefficient D			1.53000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.82	J/mol×K	273.00	Calculated Property
Cp,gas	551.67	J/mol×K	353.78	Calculated Property
Cp,gas	657.12	J/mol×K	434.56	Calculated Property
Cp,gas	750.66	J/mol×K	515.33	Calculated Property
Cp,gas	832.77	J/mol×K	596.11	Calculated Property
Cp,gas	903.93	J/mol×K	676.89	Calculated Property
Cp,gas	964.63	J/mol×K	757.67	Calculated Property
Cp,gas	1015.36	J/mol×K	838.44	Calculated Property
Cp,gas	1056.59	J/mol×K	919.22	Calculated Property
Cp,gas	1088.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003052; 0.0000277]	Pa×s	[551.14; 856.70]	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			-1.48186e+01
Coefficient B			3.70582e+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.			551.14
Temperature range, max.			856.70
η	0.0003052	Pa×s	551.14	Calculated Property
η	0.0002066	Pa×s	585.09	Calculated Property
η	0.0001460	Pa×s	619.04	Calculated Property
η	0.0001069	Pa×s	652.99	Calculated Property
η	0.0000808	Pa×s	686.94	Calculated Property
η	0.0000626	Pa×s	720.89	Calculated Property
η	0.0000497	Pa×s	754.85	Calculated Property
η	0.0000402	Pa×s	788.80	Calculated Property
η	0.0000332	Pa×s	822.75	Calculated Property
η	0.0000277	Pa×s	856.70	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 3-phenoxybenzyl 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

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