Chemical Properties of Diethylmalonic acid, 2-formylphenyl nonyl ester

InChI

InChI=1S/C23H34O5/c1-4-7-8-9-10-11-14-17-27-21(25)23(5-2,6-3)22(26)28-20-16-13-12-15-19(20)18-24/h12-13,15-16,18H,4-11,14,17H2,1-3H3

InChI Key

GGCKWLGTWBMEQR-UHFFFAOYSA-N

Formula

C23H34O5

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

390.52

• 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°	52.59	kJ/mol	Joback Calculated Property
log10WS	-5.48		Relay (1.0) Calculated Property
logPoct/wat	5.505		Crippen Calculated Property
McVol	327.620	ml/mol	McGowan Calculated Property
Pc	1105.94	kPa	Joback Calculated Property
Inp	[2650.00; 2650.00]
Inp	2650.00		NIST
Inp	2650.00		NIST
Tboil	651.40	K	Relay (1.0) Calculated Property
Tfus	302.92	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	[474.82; 1092.82]	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			1.20000e-01
Coefficient B			2.04116e+00
Coefficient C			-1.16716e-03
Coefficient D			2.18700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	474.82	J/mol×K	273.00	Calculated Property
Cp,gas	585.84	J/mol×K	353.78	Calculated Property
Cp,gas	684.66	J/mol×K	434.56	Calculated Property
Cp,gas	771.97	J/mol×K	515.33	Calculated Property
Cp,gas	848.46	J/mol×K	596.11	Calculated Property
Cp,gas	914.82	J/mol×K	676.89	Calculated Property
Cp,gas	971.74	J/mol×K	757.67	Calculated Property
Cp,gas	1019.92	J/mol×K	838.44	Calculated Property
Cp,gas	1060.05	J/mol×K	919.22	Calculated Property
Cp,gas	1092.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004989; 0.0000428]	Pa×s	[516.99; 790.22]	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			-1.47035e+01
Coefficient B			3.67089e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			516.99
Temperature range, max.			790.22
η	0.0004989	Pa×s	516.99	Calculated Property
η	0.0003365	Pa×s	547.35	Calculated Property
η	0.0002366	Pa×s	577.71	Calculated Property
η	0.0001723	Pa×s	608.07	Calculated Property
η	0.0001293	Pa×s	638.43	Calculated Property
η	0.0000996	Pa×s	668.78	Calculated Property
η	0.0000785	Pa×s	699.14	Calculated Property
η	0.0000631	Pa×s	729.50	Calculated Property
η	0.0000516	Pa×s	759.86	Calculated Property
η	0.0000428	Pa×s	790.22	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-formylphenyl nonyl ester.

Sources

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

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