Chemical Properties of Diethylmalonic acid, 2,6-dimethoxyphenyl heptyl ester

InChI

InChI=1S/C22H34O6/c1-6-9-10-11-12-16-27-20(23)22(7-2,8-3)21(24)28-19-17(25-4)14-13-15-18(19)26-5/h13-15H,6-12,16H2,1-5H3

InChI Key

LYJUSXCPDRLVDD-UHFFFAOYSA-N

Formula

C22H34O6

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

394.50

• 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°	49.70	kJ/mol	Joback Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	4.929		Crippen Calculated Property
McVol	323.700	ml/mol	McGowan Calculated Property
Pc	1086.35	kPa	Joback Calculated Property
Inp	[2578.00; 2578.00]
Inp	2578.00		NIST
Inp	2578.00		NIST
Tboil	651.04	K	Relay (1.0) Calculated Property
Tfus	337.47	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	[482.05; 1084.41]	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			5.49280e+01
Coefficient B			1.78580e+00
Coefficient C			-8.30720e-04
Coefficient D			7.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	482.05	J/mol×K	273.00	Calculated Property
Cp,gas	586.03	J/mol×K	353.78	Calculated Property
Cp,gas	680.19	J/mol×K	434.56	Calculated Property
Cp,gas	764.78	J/mol×K	515.33	Calculated Property
Cp,gas	840.03	J/mol×K	596.11	Calculated Property
Cp,gas	906.17	J/mol×K	676.89	Calculated Property
Cp,gas	963.45	J/mol×K	757.67	Calculated Property
Cp,gas	1012.09	J/mol×K	838.44	Calculated Property
Cp,gas	1052.33	J/mol×K	919.22	Calculated Property
Cp,gas	1084.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002464; 0.0000263]	Pa×s	[520.70; 772.33]	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			-1.51784e+01
Coefficient B			3.57702e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			520.70
Temperature range, max.			772.33
η	0.0002464	Pa×s	520.70	Calculated Property
η	0.0001736	Pa×s	548.66	Calculated Property
η	0.0001265	Pa×s	576.62	Calculated Property
η	0.0000950	Pa×s	604.58	Calculated Property
η	0.0000731	Pa×s	632.54	Calculated Property
η	0.0000576	Pa×s	660.50	Calculated Property
η	0.0000462	Pa×s	688.46	Calculated Property
η	0.0000377	Pa×s	716.41	Calculated Property
η	0.0000313	Pa×s	744.37	Calculated Property
η	0.0000263	Pa×s	772.33	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,6-dimethoxyphenyl heptyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.