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

InChI

InChI=1S/C25H32O5/c1-3-4-6-11-20(2)29-25(27)17-10-16-24(26)28-19-21-12-9-15-23(18-21)30-22-13-7-5-8-14-22/h5,7-9,12-15,18,20H,3-4,6,10-11,16-17,19H2,1-2H3

InChI Key

HIJHXBZQBZGPQT-UHFFFAOYSA-N

Formula

C25H32O5

SMILES

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

Molecular Weight¹

412.52

• 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°	54.60	kJ/mol	Joback Calculated Property
log10WS	-5.88		Relay (1.0) Calculated Property
logPoct/wat	6.204		Crippen Calculated Property
McVol	336.340	ml/mol	McGowan Calculated Property
Inp	[3013.00; 3013.00]
Inp	3013.00		NIST
Inp	3013.00		NIST
Tboil	702.62	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	[471.63; 1104.27]	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			1.28800e+00
Coefficient B			1.99464e+00
Coefficient C			-1.03456e-03
Coefficient D			1.42900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	471.63	J/mol×K	273.00	Calculated Property
Cp,gas	583.79	J/mol×K	353.78	Calculated Property
Cp,gas	684.43	J/mol×K	434.56	Calculated Property
Cp,gas	774.00	J/mol×K	515.33	Calculated Property
Cp,gas	852.96	J/mol×K	596.11	Calculated Property
Cp,gas	921.74	J/mol×K	676.89	Calculated Property
Cp,gas	980.82	J/mol×K	757.67	Calculated Property
Cp,gas	1030.63	J/mol×K	838.44	Calculated Property
Cp,gas	1071.63	J/mol×K	919.22	Calculated Property
Cp,gas	1104.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003104; 0.0000255]	Pa×s	[528.76; 833.20]	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			-1.49227e+01
Coefficient B			3.61937e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			528.76
Temperature range, max.			833.20
η	0.0003104	Pa×s	528.76	Calculated Property
η	0.0002057	Pa×s	562.59	Calculated Property
η	0.0001428	Pa×s	596.41	Calculated Property
η	0.0001031	Pa×s	630.24	Calculated Property
η	0.0000769	Pa×s	664.06	Calculated Property
η	0.0000591	Pa×s	697.89	Calculated Property
η	0.0000465	Pa×s	731.72	Calculated Property
η	0.0000374	Pa×s	765.54	Calculated Property
η	0.0000306	Pa×s	799.37	Calculated Property
η	0.0000255	Pa×s	833.20	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-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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