Chemical Properties of Dimethylmalonic acid, octyl propyl ester

InChI

InChI=1S/C16H30O4/c1-5-7-8-9-10-11-13-20-15(18)16(3,4)14(17)19-12-6-2/h5-13H2,1-4H3

InChI Key

UASWFCBSILFDHE-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)OCCC

Molecular Weight¹

286.41

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[376.12; 862.47]	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			1.46890e+01
Coefficient B			1.54008e+00
Coefficient C			-8.29200e-04
Coefficient D			1.36900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	376.12	J/mol×K	273.00	Calculated Property
Cp,gas	461.82	J/mol×K	353.78	Calculated Property
Cp,gas	538.59	J/mol×K	434.56	Calculated Property
Cp,gas	606.87	J/mol×K	515.33	Calculated Property
Cp,gas	667.09	J/mol×K	596.11	Calculated Property
Cp,gas	719.69	J/mol×K	676.89	Calculated Property
Cp,gas	765.09	J/mol×K	757.67	Calculated Property
Cp,gas	803.73	J/mol×K	838.44	Calculated Property
Cp,gas	836.05	J/mol×K	919.22	Calculated Property
Cp,gas	862.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027576; 0.0001116]	Pa×s	[357.16; 599.00]	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			-1.38366e+01
Coefficient B			2.83698e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			357.16
Temperature range, max.			599.00
η	0.0027576	Pa×s	357.16	Calculated Property
η	0.0015818	Pa×s	384.03	Calculated Property
η	0.0009758	Pa×s	410.90	Calculated Property
η	0.0006387	Pa×s	437.77	Calculated Property
η	0.0004391	Pa×s	464.64	Calculated Property
η	0.0003145	Pa×s	491.51	Calculated Property
η	0.0002332	Pa×s	518.38	Calculated Property
η	0.0001780	Pa×s	545.25	Calculated Property
η	0.0001394	Pa×s	572.12	Calculated Property
η	0.0001116	Pa×s	599.00	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, octyl propyl ester.

Sources

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

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