Chemical Properties of Dimethylmalonic acid, di(2-methylpent-3-yl) ester

InChI

InChI=1S/C17H32O4/c1-9-13(11(3)4)20-15(18)17(7,8)16(19)21-14(10-2)12(5)6/h11-14H,9-10H2,1-8H3

InChI Key

RXSGWLRXFBEPEO-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCC(OC(=O)C(C)(C)C(=O)OC(CC)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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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°	27.02	kJ/mol	Joback Calculated Property
logPoct/wat	3.968		Crippen Calculated Property
McVol	265.270	ml/mol	McGowan Calculated Property
Inp	[1740.00; 1740.00]
Inp	1740.00		NIST
Inp	1740.00		NIST
Tboil	543.26	K	Relay (1.0) Calculated Property
Tfus	248.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[396.07; 916.21]	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			7.05200e+00
Coefficient B			1.65876e+00
Coefficient C			-8.96400e-04
Coefficient D			1.46800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.07	J/mol×K	273.00	Calculated Property
Cp,gas	488.19	J/mol×K	353.78	Calculated Property
Cp,gas	570.65	J/mol×K	434.56	Calculated Property
Cp,gas	643.90	J/mol×K	515.33	Calculated Property
Cp,gas	708.42	J/mol×K	596.11	Calculated Property
Cp,gas	764.66	J/mol×K	676.89	Calculated Property
Cp,gas	813.10	J/mol×K	757.67	Calculated Property
Cp,gas	854.20	J/mol×K	838.44	Calculated Property
Cp,gas	888.41	J/mol×K	919.22	Calculated Property
Cp,gas	916.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0107823; 0.0000709]	Pa×s	[308.43; 620.18]	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			-1.45238e+01
Coefficient B			3.08242e+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.			308.43
Temperature range, max.			620.18
η	0.0107823	Pa×s	308.43	Calculated Property
η	0.0039308	Pa×s	343.07	Calculated Property
η	0.0017244	Pa×s	377.71	Calculated Property
η	0.0008688	Pa×s	412.35	Calculated Property
η	0.0004868	Pa×s	446.98	Calculated Property
η	0.0002964	Pa×s	481.62	Calculated Property
η	0.0001929	Pa×s	516.26	Calculated Property
η	0.0001326	Pa×s	550.90	Calculated Property
η	0.0000952	Pa×s	585.54	Calculated Property
η	0.0000709	Pa×s	620.18	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2-methylpent-3-yl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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