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

InChI

InChI=1S/C24H30O5/c1-4-22(18(2)3)29-24(26)15-9-14-23(25)27-17-19-10-8-13-21(16-19)28-20-11-6-5-7-12-20/h5-8,10-13,16,18,22H,4,9,14-15,17H2,1-3H3

InChI Key

SESUWORTJNCCAT-UHFFFAOYSA-N

Formula

C24H30O5

SMILES

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

Molecular Weight¹

398.49

• 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°	48.49	kJ/mol	Joback Calculated Property
log10WS	-5.40		Relay (1.0) Calculated Property
logPoct/wat	5.670		Crippen Calculated Property
McVol	322.250	ml/mol	McGowan Calculated Property
Inp	[2900.00; 2900.00]
Inp	2900.00		NIST
Inp	2900.00		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	[450.10; 1053.22]	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			5.15000e-01
Coefficient B			1.90556e+00
Coefficient C			-9.83360e-04
Coefficient D			1.30500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	450.10	J/mol×K	273.00	Calculated Property
Cp,gas	557.36	J/mol×K	353.78	Calculated Property
Cp,gas	653.60	J/mol×K	434.56	Calculated Property
Cp,gas	739.22	J/mol×K	515.33	Calculated Property
Cp,gas	814.65	J/mol×K	596.11	Calculated Property
Cp,gas	880.29	J/mol×K	676.89	Calculated Property
Cp,gas	936.55	J/mol×K	757.67	Calculated Property
Cp,gas	983.85	J/mol×K	838.44	Calculated Property
Cp,gas	1022.60	J/mol×K	919.22	Calculated Property
Cp,gas	1053.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004091; 0.0000267]	Pa×s	[502.49; 816.82]	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			-1.48923e+01
Coefficient B			3.56303e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			502.49
Temperature range, max.			816.82
η	0.0004091	Pa×s	502.49	Calculated Property
η	0.0002580	Pa×s	537.42	Calculated Property
η	0.0001722	Pa×s	572.34	Calculated Property
η	0.0001204	Pa×s	607.27	Calculated Property
η	0.0000875	Pa×s	642.19	Calculated Property
η	0.0000657	Pa×s	677.12	Calculated Property
η	0.0000508	Pa×s	712.04	Calculated Property
η	0.0000402	Pa×s	746.97	Calculated Property
η	0.0000325	Pa×s	781.89	Calculated Property
η	0.0000267	Pa×s	816.82	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-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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