Chemical Properties of Diethylmalonic acid, 2-formylphenyl pentadecyl ester

InChI

InChI=1S/C29H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-33-27(31)29(5-2,6-3)28(32)34-26-22-19-18-21-25(26)24-30/h18-19,21-22,24H,4-17,20,23H2,1-3H3

InChI Key

VBMYQRNKYXQACO-UHFFFAOYSA-N

Formula

C29H46O5

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

474.68

• 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°	68.13	kJ/mol	Joback Calculated Property
log10WS	-7.19		Relay (1.0) Calculated Property
logPoct/wat	7.845		Crippen Calculated Property
McVol	412.160	ml/mol	McGowan Calculated Property
Pc	778.94	kPa	Joback Calculated Property
Inp	[3277.00; 3277.00]
Inp	3277.00		NIST
Inp	3277.00		NIST
Tboil	692.57	K	Relay (1.0) Calculated Property
Tfus	310.27	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	[602.10; 1402.37]	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			-5.33400e+00
Coefficient B			2.61116e+00
Coefficient C			-1.49356e-03
Coefficient D			2.90100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	602.10	J/mol×K	273.00	Calculated Property
Cp,gas	744.35	J/mol×K	353.78	Calculated Property
Cp,gas	871.12	J/mol×K	434.56	Calculated Property
Cp,gas	983.34	J/mol×K	515.33	Calculated Property
Cp,gas	1081.92	J/mol×K	596.11	Calculated Property
Cp,gas	1167.78	J/mol×K	676.89	Calculated Property
Cp,gas	1241.84	J/mol×K	757.67	Calculated Property
Cp,gas	1305.01	J/mol×K	838.44	Calculated Property
Cp,gas	1358.21	J/mol×K	919.22	Calculated Property
Cp,gas	1402.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002125; 0.0000159]	Pa×s	[584.61; 910.17]	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			-1.57024e+01
Coefficient B			4.23585e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			584.61
Temperature range, max.			910.17
η	0.0002125	Pa×s	584.61	Calculated Property
η	0.0001393	Pa×s	620.78	Calculated Property
η	0.0000957	Pa×s	656.96	Calculated Property
η	0.0000683	Pa×s	693.13	Calculated Property
η	0.0000505	Pa×s	729.30	Calculated Property
η	0.0000384	Pa×s	765.47	Calculated Property
η	0.0000299	Pa×s	801.65	Calculated Property
η	0.0000238	Pa×s	837.82	Calculated Property
η	0.0000193	Pa×s	873.99	Calculated Property
η	0.0000159	Pa×s	910.17	Calculated Property

Similar Compounds

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

Sources

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

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