Chemical Properties of Malonic acid, di(2,4-dimethylpent-3-yl) ester

InChI

InChI=1S/C17H32O4/c1-10(2)16(11(3)4)20-14(18)9-15(19)21-17(12(5)6)13(7)8/h10-13,16-17H,9H2,1-8H3

InChI Key

UCMHFRJIUYHQPK-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CC(C)C(OC(=O)CC(=O)OC(C(C)C)C(C)C)C(C)C

Molecular Weight¹

300.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfH°gas	-1059.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.39	kJ/mol	Joback Calculated Property
ΔvapH°	82.47	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.824		Crippen Calculated Property
McVol	265.270	ml/mol	McGowan Calculated Property
Pc	1282.83	kPa	Joback Calculated Property
Inp	[1742.00; 1742.00]
Inp	1742.00		NIST
Inp	1742.00		NIST
Tboil	562.07	K	Relay (1.0) Calculated Property
Tfus	238.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[396.90; 915.82]	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			2.81610e+01
Coefficient B			1.54476e+00
Coefficient C			-7.31000e-04
Coefficient D			7.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.90	J/mol×K	273.00	Calculated Property
Cp,gas	486.44	J/mol×K	353.78	Calculated Property
Cp,gas	567.47	J/mol×K	434.56	Calculated Property
Cp,gas	640.21	J/mol×K	515.33	Calculated Property
Cp,gas	704.90	J/mol×K	596.11	Calculated Property
Cp,gas	761.78	J/mol×K	676.89	Calculated Property
Cp,gas	811.08	J/mol×K	757.67	Calculated Property
Cp,gas	853.03	J/mol×K	838.44	Calculated Property
Cp,gas	887.87	J/mol×K	919.22	Calculated Property
Cp,gas	915.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0250367; 0.0000708]	Pa×s	[276.01; 620.45]	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			-1.42578e+01
Coefficient B			2.91752e+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.			276.01
Temperature range, max.			620.45
η	0.0250367	Pa×s	276.01	Calculated Property
η	0.0069112	Pa×s	314.28	Calculated Property
η	0.0025229	Pa×s	352.55	Calculated Property
η	0.0011219	Pa×s	390.82	Calculated Property
η	0.0005765	Pa×s	429.10	Calculated Property
η	0.0003304	Pa×s	467.37	Calculated Property
η	0.0002060	Pa×s	505.64	Calculated Property
η	0.0001372	Pa×s	543.91	Calculated Property
η	0.0000965	Pa×s	582.18	Calculated Property
η	0.0000708	Pa×s	620.45	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, di(2,4-dimethylpent-3-yl) ester.

Sources

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

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