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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1084.70; 1135.03]	J/mol×K	[988.35; 1223.86]
Cp,gas	1084.70	J/mol×K	988.35	Joback Calculated Property
Cp,gas	1097.83	J/mol×K	1027.60	Joback Calculated Property
Cp,gas	1109.00	J/mol×K	1066.85	Joback Calculated Property
Cp,gas	1118.25	J/mol×K	1106.10	Joback Calculated Property
Cp,gas	1125.63	J/mol×K	1145.35	Joback Calculated Property
Cp,gas	1131.21	J/mol×K	1184.60	Joback Calculated Property
Cp,gas	1135.03	J/mol×K	1223.86	Joback Calculated Property
η	[0.0000156; 0.0003052]	Pa×s	[551.14; 988.35]
η	0.0003052	Pa×s	551.14	Joback Calculated Property
η	0.0001392	Pa×s	624.01	Joback Calculated Property
η	0.0000748	Pa×s	696.88	Joback Calculated Property
η	0.0000452	Pa×s	769.74	Joback Calculated Property
η	0.0000298	Pa×s	842.61	Joback Calculated Property
η	0.0000210	Pa×s	915.48	Joback Calculated Property
η	0.0000156	Pa×s	988.35	Joback 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

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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