Chemical Properties of Diethylmalonic acid, 2,3-dimethylphenyl pentyl ester

InChI

InChI=1S/C20H30O4/c1-6-9-10-14-23-18(21)20(7-2,8-3)19(22)24-17-13-11-12-15(4)16(17)5/h11-13H,6-10,14H2,1-5H3

InChI Key

ZQWGZGAITSDFNS-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

334.45

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.14	kJ/mol	Joback Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.749		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1268.25	kPa	Joback Calculated Property
Inp	[2202.00; 2202.00]
Inp	2202.00		NIST
Inp	2202.00		NIST
Tboil	615.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[408.82; 944.23]	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			5.74600e+00
Coefficient B			1.72220e+00
Coefficient C			-9.43920e-04
Coefficient D			1.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	408.82	J/mol×K	273.00	Calculated Property
Cp,gas	503.98	J/mol×K	353.78	Calculated Property
Cp,gas	589.04	J/mol×K	434.56	Calculated Property
Cp,gas	664.50	J/mol×K	515.33	Calculated Property
Cp,gas	730.88	J/mol×K	596.11	Calculated Property
Cp,gas	788.68	J/mol×K	676.89	Calculated Property
Cp,gas	838.41	J/mol×K	757.67	Calculated Property
Cp,gas	880.57	J/mol×K	838.44	Calculated Property
Cp,gas	915.68	J/mol×K	919.22	Calculated Property
Cp,gas	944.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007154; 0.0000602]	Pa×s	[453.70; 705.84]	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			-1.41735e+01
Coefficient B			3.14452e+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.			453.70
Temperature range, max.			705.84
η	0.0007154	Pa×s	453.70	Calculated Property
η	0.0004781	Pa×s	481.72	Calculated Property
η	0.0003339	Pa×s	509.73	Calculated Property
η	0.0002422	Pa×s	537.75	Calculated Property
η	0.0001813	Pa×s	565.76	Calculated Property
η	0.0001395	Pa×s	593.78	Calculated Property
η	0.0001099	Pa×s	621.79	Calculated Property
η	0.0000883	Pa×s	649.81	Calculated Property
η	0.0000723	Pa×s	677.83	Calculated Property
η	0.0000602	Pa×s	705.84	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl pentyl ester.

Sources

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

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