Chemical Properties of Glutaric acid, 2-ethylhexyl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C21H32O6/c1-5-7-10-16(6-2)15-26-19(22)13-9-14-20(23)27-21-17(24-3)11-8-12-18(21)25-4/h8,11-12,16H,5-7,9-10,13-15H2,1-4H3

InChI Key

CELNTRRARCEJCL-UHFFFAOYSA-N

Formula

C21H32O6

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

380.48

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	51.00	kJ/mol	Joback Calculated Property
log10WS	-4.46		Relay (1.0) Calculated Property
logPoct/wat	4.539		Crippen Calculated Property
McVol	309.610	ml/mol	McGowan Calculated Property
Pc	1149.87	kPa	Joback Calculated Property
Inp	[2671.00; 2671.00]
Inp	2671.00		NIST
Inp	2671.00		NIST
Tboil	663.63	K	Relay (1.0) Calculated Property
Tfus	289.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[461.98; 1031.89]	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			7.86280e+01
Coefficient B			1.57088e+00
Coefficient C			-6.07720e-04
Coefficient D			-9.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	461.98	J/mol×K	273.00	Calculated Property
Cp,gas	557.87	J/mol×K	353.78	Calculated Property
Cp,gas	645.69	J/mol×K	434.56	Calculated Property
Cp,gas	725.41	J/mol×K	515.33	Calculated Property
Cp,gas	797.00	J/mol×K	596.11	Calculated Property
Cp,gas	860.42	J/mol×K	676.89	Calculated Property
Cp,gas	915.66	J/mol×K	757.67	Calculated Property
Cp,gas	962.67	J/mol×K	838.44	Calculated Property
Cp,gas	1001.42	J/mol×K	919.22	Calculated Property
Cp,gas	1031.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003531; 0.0000345]	Pa×s	[492.01; 755.53]	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			-1.46156e+01
Coefficient B			3.28014e+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.			492.01
Temperature range, max.			755.53
η	0.0003531	Pa×s	492.01	Calculated Property
η	0.0002428	Pa×s	521.29	Calculated Property
η	0.0001738	Pa×s	550.57	Calculated Property
η	0.0001286	Pa×s	579.85	Calculated Property
η	0.0000980	Pa×s	609.13	Calculated Property
η	0.0000765	Pa×s	638.41	Calculated Property
η	0.0000611	Pa×s	667.69	Calculated Property
η	0.0000497	Pa×s	696.97	Calculated Property
η	0.0000411	Pa×s	726.25	Calculated Property
η	0.0000345	Pa×s	755.53	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 2,6-dimethoxyphenyl ester.

Sources

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

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