Chemical Properties of Glutaric acid, dec-2-yl 3-phenoxybenzyl ester

InChI

InChI=1S/C28H38O5/c1-3-4-5-6-7-9-14-23(2)32-28(30)20-13-19-27(29)31-22-24-15-12-18-26(21-24)33-25-16-10-8-11-17-25/h8,10-12,15-18,21,23H,3-7,9,13-14,19-20,22H2,1-2H3

InChI Key

PAHBXWFGGASUFM-UHFFFAOYSA-N

Formula

C28H38O5

SMILES

CCCCCCCCC(C)OC(=O)CCCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

454.60

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.21	kJ/mol	Joback Calculated Property
log10WS	-6.83		Relay (1.0) Calculated Property
logPoct/wat	7.375		Crippen Calculated Property
McVol	378.610	ml/mol	McGowan Calculated Property
Inp	[3302.00; 3302.00]
Inp	3302.00		NIST
Inp	3302.00		NIST
Tboil	723.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[1287.17; 1341.01]	J/mol×K	[1072.94; 1313.86]
Cp,gas	1287.17	J/mol×K	1072.94	Joback Calculated Property
Cp,gas	1300.58	J/mol×K	1113.09	Joback Calculated Property
Cp,gas	1312.12	J/mol×K	1153.25	Joback Calculated Property
Cp,gas	1321.87	J/mol×K	1193.40	Joback Calculated Property
Cp,gas	1329.90	J/mol×K	1233.55	Joback Calculated Property
Cp,gas	1336.25	J/mol×K	1273.70	Joback Calculated Property
Cp,gas	1341.01	J/mol×K	1313.86	Joback Calculated Property
η	[0.0000116; 0.0001568]	Pa×s	[622.23; 1072.94]
η	0.0001568	Pa×s	622.23	Joback Calculated Property
η	0.0000804	Pa×s	697.35	Joback Calculated Property
η	0.0000469	Pa×s	772.47	Joback Calculated Property
η	0.0000301	Pa×s	847.59	Joback Calculated Property
η	0.0000208	Pa×s	922.70	Joback Calculated Property
η	0.0000152	Pa×s	997.82	Joback Calculated Property
η	0.0000116	Pa×s	1072.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dec-2-yl 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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