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°	62.37	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[535.27; 1259.04]	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			-1.43900e+00
Coefficient B			2.27964e+00
Coefficient C			-1.19776e-03
Coefficient D			1.78600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	535.27	J/mol×K	273.00	Calculated Property
Cp,gas	663.04	J/mol×K	353.78	Calculated Property
Cp,gas	777.66	J/mol×K	434.56	Calculated Property
Cp,gas	879.69	J/mol×K	515.33	Calculated Property
Cp,gas	969.69	J/mol×K	596.11	Calculated Property
Cp,gas	1048.23	J/mol×K	676.89	Calculated Property
Cp,gas	1115.86	J/mol×K	757.67	Calculated Property
Cp,gas	1173.17	J/mol×K	838.44	Calculated Property
Cp,gas	1220.71	J/mol×K	919.22	Calculated Property
Cp,gas	1259.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002062; 0.0000162]	Pa×s	[562.57; 888.71]	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			-1.54226e+01
Coefficient B			3.90185e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			562.57
Temperature range, max.			888.71
η	0.0002062	Pa×s	562.57	Calculated Property
η	0.0001355	Pa×s	598.81	Calculated Property
η	0.0000934	Pa×s	635.04	Calculated Property
η	0.0000671	Pa×s	671.28	Calculated Property
η	0.0000498	Pa×s	707.52	Calculated Property
η	0.0000381	Pa×s	743.76	Calculated Property
η	0.0000298	Pa×s	779.99	Calculated Property
η	0.0000239	Pa×s	816.23	Calculated Property
η	0.0000195	Pa×s	852.47	Calculated Property
η	0.0000162	Pa×s	888.71	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

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