Chemical Properties of Glutaric acid, dodecyl 3-methoxybenzyl ester

InChI

InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-19-29-24(26)17-14-18-25(27)30-21-22-15-13-16-23(20-22)28-2/h13,15-16,20H,3-12,14,17-19,21H2,1-2H3

InChI Key

OJRNUDXRKTVKQD-UHFFFAOYSA-N

Formula

C25H40O5

SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cccc(OC)c1

Molecular Weight¹

420.59

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[529.20; 1222.25]	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			3.68750e+01
Coefficient B			2.06764e+00
Coefficient C			-1.00016e-03
Coefficient D			1.17900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	529.20	J/mol×K	273.00	Calculated Property
Cp,gas	648.40	J/mol×K	353.78	Calculated Property
Cp,gas	756.19	J/mol×K	434.56	Calculated Property
Cp,gas	852.92	J/mol×K	515.33	Calculated Property
Cp,gas	938.99	J/mol×K	596.11	Calculated Property
Cp,gas	1014.75	J/mol×K	676.89	Calculated Property
Cp,gas	1080.59	J/mol×K	757.67	Calculated Property
Cp,gas	1136.87	J/mol×K	838.44	Calculated Property
Cp,gas	1183.97	J/mol×K	919.22	Calculated Property
Cp,gas	1222.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003265; 0.0000278]	Pa×s	[517.34; 807.41]	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			-1.48853e+01
Coefficient B			3.54813e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			517.34
Temperature range, max.			807.41
η	0.0003265	Pa×s	517.34	Calculated Property
η	0.0002184	Pa×s	549.57	Calculated Property
η	0.0001527	Pa×s	581.80	Calculated Property
η	0.0001109	Pa×s	614.03	Calculated Property
η	0.0000831	Pa×s	646.26	Calculated Property
η	0.0000640	Pa×s	678.49	Calculated Property
η	0.0000505	Pa×s	710.72	Calculated Property
η	0.0000407	Pa×s	742.95	Calculated Property
η	0.0000334	Pa×s	775.18	Calculated Property
η	0.0000278	Pa×s	807.41	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodecyl 3-methoxybenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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